SCHEMBL1301328

SCHEMBL1301328

O=CN1Cc2ccccc2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
PKM P14618 1/20 0.40
PDE4D Q08499 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.37
HSD17B3 P37058 1/20 0.36
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL56072 0.84 MAOA (0.54) NOTUMMAOAMAOBKMT2AMEN1
SCHEMBL7227256 0.82 RIPK1 (0.49) NOTUMMAOAMAOBKMT2AMEN1
Trifluoroacetic Acid SCHEMBL17092896 0.82 DPP8 (0.42) NOTUMKMT2AMEN1MAPTTAAR1
SCHEMBL12765385 0.77 CYP1A2 (0.42) KMT2AMEN1RAB9AALDH1A1CYP1A2
SCHEMBL8189202 0.77 TIPARP (0.40) POLB
SCHEMBL23505868 0.77 TRAP1 (0.42) NOTUMTRAP1
SCHEMBL6926692 0.77 TRAP1 (0.42) KMT2AMEN1PKMHSP90B1TRAP1
SCHEMBL14626144 0.75 PDK2 (0.47) MAOAMAOBKMT2AMEN1PDE4D
SCHEMBL29836077 0.75 TIPARP (0.42)
SCHEMBL14365324 0.75 HSD17B3 (0.43) PDE4DHSD17B3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115996907-A Inhibitors of MLH1 and/or PMS2 for cancer treatment 奈奥芬莱有限公司 2023-04-21 CN claimed
EP-2318355-B1 1,1'-DIADAMANTYL CARBOXYLIC ACIDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INT (DE) 2018-09-12 EP claimed
CN-101679406-B Thiazolyl compounds useful as kinase inhibitors BRISTOL MYERS SQUIBB CO 2013-07-10 CN claimed
US-8309597-B2 1,1′-diadamantyl carboxylic acids, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-13 US claimed
CN-102686566-A Novel tertiary 8-hydroxyquinoline-7-carboxamide derivatives and uses thereof POLICHEM SA 2012-09-19 CN claimed
US-20110269736-A1 1,1'-Diadamantyl carboxylic acids, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2011-11-03 US claimed
US-4020059-A Process for preparing tertiary amines NIPPON SHOKUBAI KAGAKU KOGYO CO., LTD. (JA) 1977-04-26 US claimed
US-12552758-B2 Inhibitors of MLH1 and/or PMS2 for cancer treatment Neophore Limited (GB) 2026-02-17 US disclosed
CN-114072398-B Compounds that inhibit TDG activity 上海仕谱生物科技有限公司 2024-06-11 CN disclosed
CN-116615417-B 1, 4-Diheterocyclic group substituted aromatic ring or aromatic heterocyclic compound and application thereof 广州必贝特医药股份有限公司 2024-05-14 CN disclosed
WO-2023185821-A1 1,4-DIHETEROCYCLIC SUBSTITUTED AROMATIC RING OR AROMATIC HETEROCYCLIC COMPOUND AND USE THEREOF 广州必贝特医药股份有限公司 2023-10-05 WO disclosed
CN-116615417-A 1, 4-diheterocycle substituted aromatic ring or aromatic heterocyclic compound and application thereof 广州必贝特医药股份有限公司 2023-08-18 CN disclosed
US-20230183197-A1 INHIBITORS OF MLH1 AND/OR PMS2 FOR CANCER TREATMENT Neophore Limited (GB) 2023-06-15 US disclosed
EP-1079832-B1 USE OF VITAMIN PP COMPOUNDS KLINGE CO CHEM PHARM FAB (DE) 2005-11-30 EP disclosed
US-6903118-B1 Piperazinyl-substituted pyridylalkane, alkene and alkine carboxamides KLINGE PHARMA GMBH (DE) 2005-06-07 US disclosed
EP-1079832-A1 USE OF VITAMIN PP COMPOUNDS Klinge Pharma GmbH (DE) 2001-03-07 EP disclosed
EP-1060163-A1 NEW PIPERAZINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES Klinge Pharma GmbH (DE) 2000-12-20 EP disclosed
WO-1999053920-A1 USE OF VITAMIN PP COMPOUNDS KLINGE PHARMA GMBH (DE) 1999-10-28 WO disclosed
WO-1999031063-A1 NEW PIPERAZINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES KLINGE PHARMA GMBH (DE) 1999-06-24 WO disclosed
US-4020059-A Process for preparing tertiary amines NIPPON SHOKUBAI KAGAKU KOGYO CO., LTD. (JA) 1977-04-26 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 (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-12552758-B2 Inhibitors of MLH1 and/or PMS2 for cancer treatment MSH2, PMS2, MSH6 NOTUM 4837/4885RXFP1 2943/4885MAOA 2701/4885
US-20230183197-A1 INHIBITORS OF MLH1 AND/OR PMS2 FOR CANCER TREATMENT MSH2, PMS2, MSH6 NOTUM 4822/4885RXFP1 2013/4885MAOA 2788/4885
US-20110269736-A1 1,1'-Diadamantyl carboxylic acids, medicaments containing such compounds and their use HSD11B1, HSD17B1, HSD3B1 NOTUM 312/4885RXFP1 3895/4885MAOA 457/4885

“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.