SCHEMBL104281

SCHEMBL104281

Cn1c(CO)nc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.61
NPC1 O15118 6/20 0.60
RAB9A P51151 6/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
LMNA P02545 3/20 0.60
CYP2D6 P10635 1/20 0.59
POLB P06746 3/20 0.58
KDM4E B2RXH2 2/20 0.58
MAPT P10636 3/20 0.57
PKM P14618 1/20 0.57
GAA P10253 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
PDE10A Q9Y233 1/20 0.55
USP2 O75604 1/20 0.54

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
SCHEMBL4728786 0.85 HDAC6 (0.67) HDAC6NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL1059693 0.84 RAB9A (0.64) HDAC6NPC1RAB9ASMN1; SMN2LMNA
Water SCHEMBL23043360 0.84 HDAC6 (0.65) HDAC6NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL757031 0.82 RAB9A (0.62) HDAC6NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL30037937 0.82 RAB9A (0.62) HDAC6NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4485011 0.82 MAPT (0.68) HDAC6NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL17933568 0.81 MAPT (0.70) HDAC6NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL14050118 0.81 MAPT (0.76) HDAC6NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL103809 0.81 RAB9A (0.60) HDAC6NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2929122 0.81 MAPT (0.66) HDAC6NPC1RAB9ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111635365-A Mixed-valence copper (I, II) complex and in-situ synthesis method thereof 梧州学院 2020-09-08 CN claimed
EP-2970328-B1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE DEUTSCHLAND (DE) 2017-04-26 EP claimed
CN-105225779-A A kind of cobalt-based single-chain magnets and synthetic method thereof UNIV GUANGXI 2016-01-06 CN claimed
US-9200005-B2 Inhibitor compounds of phosphodiesterase type 10A AbbVie Deutschland GmbH & Co. KG (DE) 2015-12-01 US claimed
US-20140275069-A1 Novel inhibitor compounds of phosphodiesterase type 10A AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 US claimed
EP-4289838-A2 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME Celgene Corporation (US) 2023-12-13 EP disclosed
US-20230322744-A1 COMPOUNDS AS GLP-1R AGONISTS TERNS PHARMACEUTICALS, INC. 2023-10-12 US disclosed
US-20230322744-A1 COMPOUNDS AS GLP-1R AGONISTS TERNS PHARMACEUTICALS, INC. 2023-10-12 US disclosed
US-20230322744-A1 COMPOUNDS AS GLP-1R AGONISTS TERNS PHARMACEUTICALS, INC. 2023-10-12 US disclosed
US-11760773-B2 Small molecule drug conjugates of gemcitabine monophosphate MAVERIX ONCOLOGY, INC. (US) 2023-09-19 US disclosed
EP-3599236-B1 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORP (US) 2023-08-23 EP disclosed
CN-116507326-A Compounds as GLP-1R agonists 拓臻制药公司 2023-07-28 CN disclosed
EP-0873319-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2001-07-25 EP disclosed
US-6258951-B1 ANTICANCER, ANTIARTHRITIC AGENTS ZENECA LIMITED (GB) 2001-07-10 US disclosed
WO-2000060043-A1 COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2000-10-12 WO disclosed
US-6071921-A Chemical compounds ZENECA LIMITED (GB) 2000-06-06 US disclosed
WO-2000023449-A1 PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2000-04-27 WO disclosed
US-5962458-A ANGIOGENESIS INHIBITORS, ANTICANCER AGENTS, ANTIDIABETIC AGENTS, SKIN DISORDERS, AUTOIMMUNE DISEASES, ANTIINFLAMMATORY AGENTS, VISION DEFECTS ZENECA LIMITED (GB) 1999-10-05 US disclosed
US-5149700-A Antiarrhythmic agent AMERICAN HOME PRODUCTS CORPORATION (US) 1992-09-22 US disclosed
WO-1991018904-A1 SUBSTITUTED ARYLSULFONAMIDES AND BENZAMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1991-12-12 WO 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 (3 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-20140275069-A1 Novel inhibitor compounds of phosphodiesterase type 10A PDE5A, PDE3A, PDE3B HDAC6 612/4885NPC1 2156/4885RAB9A 625/4885
US-20230322744-A1 COMPOUNDS AS GLP-1R AGONISTS GLP1R, GIPR, GCGR HDAC6 1432/4885NPC1 690/4885RAB9A 737/4885
US-11760773-B2 Small molecule drug conjugates of gemcitabine monophosphate ZYX, SLC7A5, GMPS HDAC6 630/4885NPC1 2528/4885RAB9A 793/4885

“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.