SCHEMBL2739657

SCHEMBL2739657

CC(C)(C)c1cc(Cl)ccn1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTT P42858 1/20 0.37
PRKCI P41743 1/20 0.37
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
NR4A2 P43354 2/20 0.34
SOS2 Q07890 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
CNR2 P34972 1/20 0.34
IDO1 P14902 1/20 0.34

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
SCHEMBL3719135 0.90 LMNA (0.42) LMNASMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL1507096 0.83 L3MBTL1 (0.39) SMN1; SMN2ALDH1A1L3MBTL1MAPTMEN1
SCHEMBL16369760 0.83 LOXL2 (0.36) ALDH1A1L3MBTL1MAPTNR4A2SOS2
SCHEMBL31543170 0.83 LOXL2 (0.36) ALDH1A1L3MBTL1MAPTNR4A2SOS2
SCHEMBL30529022 0.83 L3MBTL1 (0.39) SMN1; SMN2ALDH1A1L3MBTL1MAPTMEN1
SCHEMBL24387317 0.83 NR4A2 (0.36) SMN1; SMN2NPC1RAB9AALDH1A1L3MBTL1
SCHEMBL22624035 0.79 ALDH1A1 (0.40) LMNASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL18869422 0.79 ALDH1A1 (0.40) LMNANPC1RAB9AHSD17B10HTT
SCHEMBL29006579 0.79 CYP3A4 (0.38) ALDH1A1L3MBTL1MAPTMEN1MAPK1
SCHEMBL19625378 0.78 MAP4K4 (0.43) MAPTCNR2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-11787771-B2 Hydrazide containing nuclear transport modulators and uses thereof Karyopharm Therapeutics Inc. (US) 2023-10-17 US disclosed
US-20230167099-A1 NEW PYRAZINE COMPOUND Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-06-01 US disclosed
US-20230150935-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CALCIUM ION HOMEOSTASIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-05-18 US disclosed
US-20230150935-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CALCIUM ION HOMEOSTASIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-05-18 US disclosed
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES Université de Montréal (CA) 2023-02-09 US disclosed
US-11242332-B2 Method for producing benzimidazole derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-02-08 US disclosed
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
US-11053216-B2 Compounds and methods of use MEDIVATION TECHNOLOGIES LLC (US) 2021-07-06 US disclosed
EP-2240475-A1 THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS Novartis AG (CH) 2010-10-20 EP disclosed
US-20100144591-A1 BENZIMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-06-10 US disclosed
US-20100144591-A1 BENZIMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-06-10 US disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 US disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US disclosed
US-20090197877-A1 Antibacterial Compositions PROLYSIS LTD. (GB) 2009-08-06 US disclosed
US-20090197877-A1 Antibacterial Compositions PROLYSIS LTD. (GB) 2009-08-06 US disclosed
WO-2009080694-A1 THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS NOVARTIS AG (CH) 2009-07-02 WO disclosed
US-20090163469-A1 Organic Compounds NOVARTIS AG 2009-06-25 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 (13 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-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 LMNA 2215/4885SMN1; SMN2 813/4885NPC1 896/4885
US-20230167099-A1 NEW PYRAZINE COMPOUND EGFR, ERBB2, WEE1 LMNA 4796/4885SMN1; SMN2 4831/4885NPC1 1056/4885
US-20090197877-A1 Antibacterial Compositions CYCS, COX6C, INTS6 LMNA 3994/4885SMN1; SMN2 3693/4885NPC1 3471/4885
US-20230150935-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CALCIUM ION HOMEOSTASIS CHERP, ATP2A1, ATP2A3 LMNA 1974/4885SMN1; SMN2 1283/4885NPC1 352/4885
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 LMNA 2215/4885SMN1; SMN2 813/4885NPC1 896/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK LMNA 2672/4885SMN1; SMN2 3624/4885NPC1 3861/4885
US-11053216-B2 Compounds and methods of use TGFB2, TGFB1, HDGF LMNA 2845/4885SMN1; SMN2 1612/4885NPC1 1379/4885
US-11242332-B2 Method for producing benzimidazole derivative CYP3A4, CYP3A5, CYP3A43 LMNA 1758/4885SMN1; SMN2 4362/4885NPC1 1686/4885
US-11787771-B2 Hydrazide containing nuclear transport modulators and uses thereof XPO1, KPNA1, ABCB11 LMNA 645/4885SMN1; SMN2 1680/4885NPC1 42/4885
US-20100144591-A1 BENZIMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GK, GCK LMNA 2589/4885SMN1; SMN2 1534/4885NPC1 563/4885
US-12037324-B2 Biarylmethyl heterocycles ARRB1, ADRB2, ADRB1 LMNA 3031/4885SMN1; SMN2 4686/4885NPC1 2421/4885
US-20090163469-A1 Organic Compounds PIK3C3, PIK3CA, PIK3CD LMNA 3168/4885SMN1; SMN2 4701/4885NPC1 498/4885
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES ARRB1, ADRB2, ADRB1 LMNA 3031/4885SMN1; SMN2 4686/4885NPC1 2421/4885

“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.