SCHEMBL449614

SCHEMBL449614

CC#CNc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
ALDH1A1 P00352 5/20 0.41
TDP1 Q9NUW8 4/20 0.41
HSD17B10 Q99714 3/20 0.41
CTSD P07339 1/20 0.41
PTGS2 P35354 2/20 0.39
ALOX12 P18054 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALOX15 P16050 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
MAPK1 P28482 1/20 0.39
HTR2B P41595 1/20 0.39
MAPT P10636 3/20 0.39
CYP1A2 P05177 3/20 0.38
IDO1 P14902 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL1922270 0.83 ALDH1A1 (0.50) TSHRALDH1A1TDP1HSD17B10CTSD
SCHEMBL4841692 0.78 ALDH1A1 (0.41) TSHRALDH1A1TDP1HSD17B10CTSD
SCHEMBL28827980 0.75 LMNA (0.38) TSHRALDH1A1SLC6A2HTR2BMAPT
SCHEMBL2631300 0.75 ALDH1A1 (0.37) ALDH1A1MAPK1MAPTLMNAHTT
SCHEMBL28134028 0.74 ALDH1A1 (0.41) TSHRALDH1A1TDP1HSD17B10CTSD
SCHEMBL10306759 0.73 RAB9A (0.46) CYP1A2CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL28788853 0.73 CYP1A2 (0.51) TSHRALDH1A1CYP1A2CYP2C9MEN1
SCHEMBL3150956 0.73 HSD17B10 (0.40) TSHRALDH1A1TDP1HSD17B10CTSD
SCHEMBL2929976 0.73 CYP1A2 (0.46) TSHRALDH1A1TDP1HSD17B10CTSD
SCHEMBL30521955 0.73 L3MBTL1 (0.39) TSHRALDH1A1TDP1HSD17B10CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2922893-B1 MOISTURE-CURING COMPOSITIONS, PROCESSES FOR PRODUCING SAME AND USE OF SAME EVONIK DEGUSSA GMBH (DE) 2016-04-06 EP claimed
EP-1304345-B1 Aminoalkylalkoxysiloxan containing mixtures , their preparation process and their use DEGUSSA (DE) 2005-12-14 EP claimed
EP-0997469-B1 Aminopropyl-functional siloxane oligomers DEGUSSA (DE) 2004-07-14 EP claimed
JP-6087798-A None JP disclosed
EP-4709384-A2 COMBINATION THERAPY FOR TREATMENT OF CANCER PMV Pharmaceuticals, Inc. (US) 2026-03-18 EP disclosed
WO-2024238404-A2 COMBINATION THERAPY FOR TREATMENT OF CANCER PMV PHARMACEUTICALS, INC. (US) 2024-11-21 WO disclosed
CN-110467572-B Synthetic method of 3-sulfonyl quinoline derivative 温州大学 2022-07-08 CN disclosed
CN-113573708-A Polyvalent derivatives of emoxidine 阿尔萨泰克公司 2021-10-29 CN disclosed
CN-108358858-B Deuterium labeled 1-substituted phenyl-4-substituted aniline methyl-1, 2, 3-triazole derivative and preparation method and application thereof 上海化工研究院有限公司 2020-08-28 CN disclosed
US-10597493-B2 Polyimide precursor composition and method of preparing polyimide molded article FUJI XEROX CO., LTD. (JP) 2020-03-24 US disclosed
US-20180215873-A1 POLYIMIDE PRECURSOR COMPOSITION AND METHOD OF PREPARING POLYIMIDE MOLDED ARTICLE FUJI XEROX CO., LTD. (JP) 2018-08-02 US disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US disclosed
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 EP disclosed
WO-2003072655-A1 ENCAPSULATING EPOXY RESIN COMPOSITION, AND ELECTRONIC PARTS DEVICE USING THE SAME HITACHI CHEMICAL CO., LTD. (JP) 2003-09-04 WO disclosed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 US disclosed
US-20020165405-A1 Process for preparing organically-substituted polyoxometalates THE CURATORS OF THE UNIVERSITY OF MISSOURI 2002-11-07 US disclosed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 WO disclosed
JP-H0687798-A PREPARATION OF NEW PHENYL PROPYNYL AMINE DERIVATIVE CHINOIN GYOGYSZER V T G RT 1994-03-29 JP disclosed
EP-0006452-B1 HYPOGLYCEMIC PHENYLPROPYNYLAMINO BENZOIC ACIDS, THEIR SALTS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS AND THEIR APPLICATION THE DOW CHEMICAL COMPANY (US) 1983-02-16 EP disclosed
EP-0006452-A1 Hypoglycemic phenylpropynylamino benzoic acids, their salts, pharmaceutical compositions containing said compounds and their application THE DOW CHEMICAL COMPANY (US) 1980-01-09 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 (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-20020165405-A1 Process for preparing organically-substituted polyoxometalates TET2, ALKBH3, FTO TSHR 4832/4885ALDH1A1 1029/4885TDP1 869/4885
US-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC TSHR 2749/4885ALDH1A1 389/4885TDP1 639/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO TSHR 3229/4885ALDH1A1 261/4885TDP1 799/4885

“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.