SCHEMBL61132

SCHEMBL61132

O=C1[C]Cc2ccccc2N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.50
PDK2 Q15119 1/20 0.50
NPC1 O15118 2/20 0.48
MAPK13 O15264 1/20 0.48
MAPK12 P53778 1/20 0.48
MAPK11 Q15759 1/20 0.48
MAPK14 Q16539 1/20 0.48
MAPT P10636 3/20 0.46
BRD4 O60885 2/20 0.44
CREBBP Q92793 2/20 0.44
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HSP90AA1 P07900 1/20 0.41
THRB P10828 1/20 0.41
HK1 P19367 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
GALK1 P51570 1/20 0.41

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
SCHEMBL5636166 0.80 NPC1 (0.55) AHRPDK2NPC1MAPK13MAPK12
SCHEMBL1038154 0.75 MAPT (0.41) AHRPDK2NPC1MAPK13MAPK12
SCHEMBL6629250 0.71 CA12 (0.45) AHRPDK2HTR5AGAACYP1A2
SCHEMBL1816980 0.68 AHR (0.63) AHRPDK2NPC1MAPK13MAPK12
Oxindole SCHEMBL29358826 0.67 AHR (1.00) AHRPDK2NPC1MAPK13MAPK12
Oxindole SCHEMBL1144643 0.67 AHR (1.00) AHRPDK2NPC1MAPK13MAPK12
Oxindole SCHEMBL19504 0.67 AHR (1.00) AHRPDK2NPC1MAPK13MAPK12
SCHEMBL6469101 0.67 NPC1 (0.72) AHRPDK2NPC1MAPK13MAPK12
SCHEMBL6630478 0.67 ALDH1A1 (0.46) AHRPDK2NPC1MAPTBRD4
SCHEMBL8872856 0.67 CA12 (0.55) AHRPDK2NPC1MAPK13MAPK12

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 1648 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113330001-B 3, 3-Difluoroallylamine or salt thereof and pharmaceutical composition comprising the same 柳韩洋行 2024-07-02 CN claimed
US-20240132531-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS GALECTO BIOTECH AB (DK) 2024-04-25 US claimed
EP-4326715-A1 TRIAZOLONES, TETRAZOLONES, AND IMIDAZOLONES, OR THEIR SALTS, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Yuhan Corporation (KR) 2024-02-28 EP claimed
US-20240059728-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS GALECTO BIOTECH AB (DK) 2024-02-22 US claimed
CN-117510350-A Stilbene And-1 protein degradation agent, preparation method And application thereof 中国医学科学院放射医学研究所 2024-02-06 CN claimed
CN-115515947-B SHP2 inhibitor, composition and application thereof 贝达药业股份有限公司 2024-02-06 CN claimed
EP-4090660-B1 QUINOXALINE DERIVATIVES GRUENENTHAL GMBH (DE) 2024-01-31 EP claimed
CN-117203205-A Triazolone, tetrazolone and imidazolone or salts thereof, and pharmaceutical compositions containing the same 柳韩洋行 2023-12-08 CN claimed
US-11820769-B2 Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2023-11-21 US claimed
CN-117043156-A Novel galectin inhibitors of galectins 格莱克特生物技术公司 2023-11-10 CN claimed
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2003-04-10 US claimed
EP-1299352-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-04-09 EP claimed
WO-2003002122-A1 BETA-HYDROXYAMINE DERIVATIVES USEFUL IN TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-01-09 WO claimed
WO-2002094768-A2 AZA HYDROXYLATED ETHYL AMINE COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 2002-11-28 WO claimed
US-20020143177-A1 Compounds to treat alzheimer's disease PHARMACIA & UPJOHN COMPANY 2002-10-03 US claimed
US-20020128255-A1 Compounds to treat alzheimer's disease PHARMACIA & UPJOHN COMPANY 2002-09-12 US claimed
US-20020016320-A1 Compounds to treat alzheimer's disease ELAN PHARMACEUTICALS, INC. 2002-02-07 US claimed
WO-2002002506-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2001-11-01 US claimed
WO-1997042168-A1 THIO DERIVATIVES OF HYDROXAMIC ACIDS ZENECA LIMITED (GB) 1997-11-13 WO claimed

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

For each of this compound's patents that has machine-readable text (8 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-11820769-B2 Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same VAPB, HDLBP, VAPA AHR 3130/4885PDK2 2032/4885NPC1 11/4885
US-20020143177-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, CHAT AHR 814/4885PDK2 1324/4885NPC1 27/4885
US-20240059728-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS LGALS1, LGALS3, LGALS2 AHR 2642/4885PDK2 2272/4885NPC1 1933/4885
US-20020128255-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, APP AHR 1619/4885PDK2 1582/4885NPC1 64/4885
US-20240132531-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS LGALS1, LGALS3, LGALS3BP AHR 2122/4885PDK2 1861/4885NPC1 3587/4885
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production SLC1A5, NEFM, SRMS AHR 3324/4885PDK2 2387/4885NPC1 2366/4885
US-20020016320-A1 Compounds to treat alzheimer's disease PSEN1, PSEN2, CHAT AHR 1502/4885PDK2 2677/4885NPC1 16/4885
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 AHR 3239/4885PDK2 2836/4885NPC1 2516/4885

“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.