SCHEMBL12138409

SCHEMBL12138409

CNc1ccnc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MAPK1 P28482 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
POLB P06746 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
TLR9 Q9NR96 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA13 Q8N1Q1 1/20 0.37

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
SCHEMBL18803141 0.89 ALDH1A1 (0.36) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL2708359 0.83 ALDH1A1 (0.38) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL7885090 0.82 LMNA (0.41) ALDH1A1MAPTLMNASMN1; SMN2POLB
SCHEMBL7946537 0.82 MEN1 (0.36) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL13242139 0.82 KAT2B (0.40) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL18396645 0.81 MAPT (0.41) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL12354220 0.81 LMNA (0.40) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL30115273 0.79 MAPT (0.42) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL29129582 0.79 MAPT (0.52) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL6640614 0.77 ALDH1A1 (0.37) ALDH1A1MAPTMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117247383-A Pharmaceutical compounds, salts thereof, formulations thereof, and methods of making and using the same 基因技术公司 2023-12-19 CN claimed
CN-112105616-B Pharmaceutical compounds, salts thereof, formulations thereof, and methods of making and using the same 基因技术公司 2023-09-01 CN claimed
CN-112105616-A Pharmaceutical compounds, salts thereof, formulations thereof, and methods of making and using the same 基因技术公司 2020-12-18 CN claimed
EP-3746441-A1 PHARMACEUTICAL COMPOUND, SALTS THEREOF, FORMULATIONS THEREOF, AND METHODS OF MAKING AND USING SAME GENENTECH, INC. (US) 2020-12-09 EP claimed
US-20200361933-A1 PHARMACEUTICAL COMPOUND, SALTS THEREOF, FORMULATIONS THEREOF, AND METHODS OF MAKING AND USING SAME GENENTECH, INC. 2020-11-19 US claimed
WO-2019152863-A1 PHARMACEUTICAL COMPOUND, SALTS THEREOF, FORMULATIONS THEREOF, AND METHODS OF MAKING AND USING SAME GENENTECH, INC. (US) 2019-08-08 WO claimed
US-20240409539-A1 PHARMACEUTICAL COMPOUND, SALTS THEREOF, FORMULATION THEREOF, AND METHODS OF MAKING AND USING SAME GENENTECH, INC. 2024-12-12 US disclosed
CN-117247383-A Pharmaceutical compounds, salts thereof, formulations thereof, and methods of making and using the same 基因技术公司 2023-12-19 CN disclosed
CN-112105616-B Pharmaceutical compounds, salts thereof, formulations thereof, and methods of making and using the same 基因技术公司 2023-09-01 CN disclosed
EP-3746441-B1 PHARMACEUTICAL COMPOUND, SALTS THEREOF, FORMULATIONS THEREOF, AND METHODS OF MAKING AND USING SAME GENENTECH INC (US) 2023-04-05 EP disclosed
EP-3746441-B1 PHARMACEUTICAL COMPOUND, SALTS THEREOF, FORMULATIONS THEREOF, AND METHODS OF MAKING AND USING SAME GENENTECH INC (US) 2023-04-05 EP disclosed
CN-112105616-A Pharmaceutical compounds, salts thereof, formulations thereof, and methods of making and using the same 基因技术公司 2020-12-18 CN disclosed
CN-108368127-B Compounds and their use as EP4 receptor antagonists 武田药品工业株式会社 2020-12-11 CN disclosed
WO-2017014323-A1 1-SUBSTITUTED 1,2,3,4-TETRAHYDRO-1,7-NAPHTHYRIDIN-8-AMINE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-01-26 WO disclosed
US-20150094311-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS CELLZOME LTD (GB) 2015-04-02 US disclosed
US-20150094311-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS CELLZOME LTD (GB) 2015-04-02 US disclosed
US-8946426-B2 Substituted bicyclic heterocyclic compounds as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
US-8946426-B2 Substituted bicyclic heterocyclic compounds as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
US-20110281881-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2011-11-17 US disclosed
US-20110281881-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2011-11-17 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 (4 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-20200361933-A1 PHARMACEUTICAL COMPOUND, SALTS THEREOF, FORMULATIONS THEREOF, AND METHODS OF MAKING AND USING SAME SLC10A1, SLC5A6, SLC26A4 ALDH1A1 825/4885MAPT 862/4885MEN1 122/4885
US-20240409539-A1 PHARMACEUTICAL COMPOUND, SALTS THEREOF, FORMULATION THEREOF, AND METHODS OF MAKING AND USING SAME SLC10A1, SLC26A4, AQP1 ALDH1A1 586/4885MAPT 686/4885MEN1 158/4885
US-20110281881-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A ALDH1A1 1378/4885MAPT 2969/4885MEN1 2658/4885
US-20150094311-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A ALDH1A1 1378/4885MAPT 2969/4885MEN1 2658/4885

“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.