SCHEMBL962604

SCHEMBL962604

CNN=C(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.48
CTSL P07711 3/20 0.47
CTSB P07858 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 2/20 0.44
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 1/20 0.41
GFER P55789 1/20 0.41
BCHE P06276 1/20 0.41
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
CTSK P43235 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Cyanide SCHEMBL28204276 0.93 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAHTTCTSL
SCHEMBL10702180 0.79 GAA (0.46) ALDH1A1SMN1; SMN2LMNAHTTNPSR1
SCHEMBL960636 0.78 MAPT (0.61) ALDH1A1SMN1; SMN2LMNAHTTRAB9A
SCHEMBL14264702 0.78 GAA (0.41) ALDH1A1SMN1; SMN2LMNAHTTRAB9A
SCHEMBL960634 0.78 MAPT (0.61) ALDH1A1SMN1; SMN2LMNAHTTRAB9A
SCHEMBL12629713 0.77 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2LMNAHTTCTSL
SCHEMBL4487426 0.76 MEN1 (0.50) ALDH1A1LMNACTSLCTSBRAB9A
SCHEMBL4487424 0.76 MEN1 (0.50) ALDH1A1LMNACTSLCTSBRAB9A
SCHEMBL12997974 0.76 ATM (0.41) ALDH1A1SMN1; SMN2LMNAHTTCTSL
SCHEMBL8269193 0.76 CA12 (0.41) ALDH1A1SMN1; SMN2LMNAHTTRAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247577-B2 METHOD FOR THE REGIOSELECTIVE SYNTHESIS OF 1-ALKYL-3-HALOALKYL-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER IP GMBH (DE) 2022-04-27 EP claimed
EP-2247577-B1 METHOD FOR THE REGIOSELECTIVE SYNTHESIS OF 1-ALKYL-3-HALOALKYL-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER IP GMBH (DE) 2015-12-23 EP claimed
CN-104277001-A Method for the regioselective synthesis of 1-alkyl-3-haloalkyl-pyroazole-4-carboxylic acid derivatives BAYER CROPSCIENCE AKTENGESELLSCHAFT 2015-01-14 CN claimed
US-8629288-B2 Method for the regioselective synthesis of 1-alky1-3-haloalkyl-pyrazole-4-carboxylic acid derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-14 US claimed
US-20110009642-A1 Method for the Regioselective Synthesis of 1-Alkyl-3-haloalkyl-pyrazole-4-carboxylic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2011-01-13 US claimed
EP-2133341-A1 Method for regioselective synthesis of 1-alkyl-3-haloalkyl-1-pyrazol-4-carbonic acid derivatives Bayer CropScience AG (DE) 2009-12-16 EP claimed
US-4112146-A Polyester resin compositions which are photocurable in the presence of oxygen and an organic hydrazone polymerization initiator CELANESE CORPORATION (US) 1978-09-05 US claimed
US-20240276957-A1 METHODS OF TREATMENT WITH AMINOLEVULINIC ACID SYNTHASE 2 (ALAS2) MODULATORS AGIOS PHARMACEUTICALS, INC. 2024-08-22 US disclosed
WO-2023218402-A1 SYSTEMS AND METHODS FOR QUANTUM COMPUTING NVISION IMAGING TECHNOLOGIES GMBH (DE) 2023-11-16 WO disclosed
US-20230127728-A1 MODIFIED GRAPHENE, METHOD OF PRODUCING MODIFIED GRAPHENE, MODIFIED GRAPHENE-RESIN COMPOSITE, MODIFIED GRAPHENE SHEET, AND MODIFIED GRAPHENE DISPERSION CANON KK (JP) 2023-04-27 US disclosed
EP-2247577-B2 METHOD FOR THE REGIOSELECTIVE SYNTHESIS OF 1-ALKYL-3-HALOALKYL-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER IP GMBH (DE) 2022-04-27 EP disclosed
CN-114174288-A Methods of treatment with aminolevulinic acid synthase 2(ALAS2) modulators 安吉奥斯医药品有限公司 2022-03-11 CN disclosed
WO-2021012264-A1 TRIAZOLE SULFONAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 东莞市东阳光农药研发有限公司 2021-01-28 WO disclosed
EP-2194052-A1 Substituted 1.(1-thiazolyl)- and 1-(isothiazolyl)pyrazol-4-yl acetic acids, method for their production and their use as herbicides and plant growth regulators Bayer CropScience AG (DE) 2010-06-09 EP disclosed
EP-2135865-A1 Substituted 1-(diazinyl)pyrazol-4-yl acetic acids, method for their production and their use as herbicides and plant growth regulators Bayer CropScience AG (DE) 2009-12-23 EP disclosed
WO-2009152995-A1 SUBSTITUTED 1-(DIAZINYL) PYRAZOLE-4-YL-ACETIC ACIDS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2009-12-23 WO disclosed
US-20080269267-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-10-30 US disclosed
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
US-20080090856-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-04-17 US disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080090856-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES MYLK3, MYLK, CDK3 ALDH1A1 3467/4885SMN1; SMN2 3592/4885LMNA 1485/4885
US-20080269267-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES BRAF, RET, KIT ALDH1A1 1743/4885SMN1; SMN2 2591/4885LMNA 3997/4885
US-20110009642-A1 Method for the Regioselective Synthesis of 1-Alkyl-3-haloalkyl-pyrazole-4-carboxylic Acid Derivatives ATL3, HCAR3, AADAC ALDH1A1 104/4885SMN1; SMN2 4866/4885LMNA 4345/4885
US-20230127728-A1 MODIFIED GRAPHENE, METHOD OF PRODUCING MODIFIED GRAPHENE, MODIFIED GRAPHENE-RESIN COMPOSITE, MODIFIED GRAPHENE SHEET, AND MODIFIED GRAPHENE DISPERSION GRIA1, GRIN1, NR3C1 ALDH1A1 593/4885SMN1; SMN2 930/4885LMNA 1129/4885
US-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK ALDH1A1 1036/4885SMN1; SMN2 3782/4885LMNA 4717/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 ALDH1A1 1274/4885SMN1; SMN2 2868/4885LMNA 4046/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.