SCHEMBL969950

SCHEMBL969950

O=[C]Nc1ccc2ccccc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.59
NPC1 O15118 10/20 0.54
RAB9A P51151 8/20 0.54
KMT2A Q03164 2/20 0.49
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
MAPK1 P28482 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
KDM4E B2RXH2 3/20 0.45
PKM P14618 1/20 0.45
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44

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
SCHEMBL5565908 0.80 NCF1 (0.59) NCF1NPC1RAB9AKMT2AADORA3
SCHEMBL4574516 0.80 NCF1 (0.59) NCF1NPC1RAB9AKMT2AMAPK1
SCHEMBL2852899 0.80 NCF1 (0.59) NCF1NPC1RAB9AKMT2AADORA3
SCHEMBL30760998 0.76 NCF1 (0.71) NCF1NPC1RAB9AKMT2AADORA3
SCHEMBL10458402 0.76 NCF1 (0.71) NCF1NPC1RAB9AKMT2AADORA3
SCHEMBL1998485 0.74 PDGFRB (0.55) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL1998971 0.74 KDM4E (0.43) NCF1NPC1RAB9AHDAC8KDM4E
SCHEMBL5806618 0.74 NCF1 (0.68) NCF1NPC1RAB9AKMT2AADORA3
SCHEMBL5506476 0.74 NCF1 (1.00) NCF1NPC1RAB9AKMT2AKDM4E
SCHEMBL9728070 0.73 NCF1 (0.55) NCF1NPC1RAB9AKMT2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9127039-B2 Sulfur-containing amino acid derivative AJINOMOTO CO., INC. (JP) 2015-09-08 US claimed
US-20130071863-A1 Sulfur-Containing Amino Acid Derivative AJINOMOTO CO., INC. (JP) 2013-03-21 US claimed
US-5919928-A Phenanthridine derivatives and metal complexes thereof used for transparent recording medium or optical recording medium NIPPON PAPER INDUSTRIES, CO., LTD. (JP) 1999-07-06 US claimed
US-5892042-A OPTICAL RECORDING MEDIA WITH ACRIDINE DYES ON TRANSPARENT SUBSTRATE NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1999-04-06 US claimed
US-5792863-A HAVING LARGE ABSORPTION IN NEAR INFRARED, REDUCED ABSORPTION IN VISIBLE RANGE NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1998-08-11 US claimed
EP-4371979-A1 FORMAMIDE DERIVATIVE AND AGRICULTURAL OR HORTICULTURAL PLANT DISEASE CONTROL AGENT Kumiai Chemical Industry Co., Ltd. (JP) 2024-05-22 EP disclosed
CN-117693500-A Carboxamide derivative and agricultural/horticultural plant disease control agent 组合化学工业株式会社 2024-03-12 CN disclosed
WO-2023286855-A1 FORMAMIDE DERIVATIVE AND AGRICULTURAL OR HORTICULTURAL PLANT DISEASE CONTROL AGENT クミアイ化学工業株式会社 2023-01-19 WO disclosed
EP-2217602-B1 1,5-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INT (DE) 2018-08-29 EP disclosed
CN-101242817-B HIF1 alpha modulators purposes in treatment cancer 菲布罗根公司 2016-08-31 CN disclosed
US-9127039-B2 Sulfur-containing amino acid derivative AJINOMOTO CO., INC. (JP) 2015-09-08 US disclosed
US-8822479-B2 6-cyclylmethyl-and 6-alkylmethyl-substituted pyrazolepyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-02 US disclosed
WO-1997010219-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-20 WO disclosed
EP-0741697-A1 AMINO ACID DERIVATIVES AND THEIR USE AS PHOSPHOLIPASE A2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-13 EP disclosed
US-5574042-A ANTAGONIST FOR BRADYKININS AS ANTIALLERGENS, AUTOIMMUNE DISEASES, ANTIINFLAMMATORY AGENTS, SHOCK OR PAIN FUJISAWA PHARMACEUTICAL CO., LTD (JP) 1996-11-12 US disclosed
EP-0737722-A2 New indoaniline metal complex, process for their production, and transparent recording medium and optical recording medium by use thereof NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1996-10-16 EP disclosed
US-5563162-A CAN BE ADMINISTERD FOR THE TREATMENT OF ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASES, SHOCK OR PAIN IN ANIMALS AND HUMANS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-08 US disclosed
WO-1995019959-A1 AMINO ACID DERIVATIVES AND THEIR USE AS PHOSPHOLIPASE A2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-27 WO disclosed
EP-0622361-A1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-02 EP disclosed
EP-0596406-A1 Imidazo (1,2-a) Pyridines as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-05-11 EP 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 (1 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-20130071863-A1 Sulfur-Containing Amino Acid Derivative SLC7A5, CTH, CBS NCF1 2361/4885NPC1 4717/4885RAB9A 2882/4885

“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.