SCHEMBL112473

SCHEMBL112473

COc1ccc(N)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
CYP3A4 P08684 3/20 0.57
MEN1 O00255 2/20 0.52
MAPT P10636 2/20 0.52
THRB P10828 2/20 0.52
KMT2A Q03164 2/20 0.52
TDP1 Q9NUW8 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
MCL1 Q07820 1/20 0.50
MAPK1 P28482 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP1A1 P04798 1/20 0.46
CYP1B1 Q16678 1/20 0.46
TAAR1 Q96RJ0 2/20 0.45
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43

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
Hydrochloric Acid SCHEMBL1682378 0.98 ALDH1A1 (0.61) ALDH1A1CYP3A4MEN1MAPTTHRB
SCHEMBL1187335 0.82 ALDH1A1 (0.57) ALDH1A1CYP3A4MEN1MAPTTHRB
SCHEMBL863328 0.81 NR4A1 (0.61) ALDH1A1CYP3A4MEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL14157190 0.80 ALDH1A1 (0.61) ALDH1A1CYP3A4MEN1MAPTTHRB
SCHEMBL1337887 0.79 MAOB (0.55) ALDH1A1CYP3A4KMT2AKDM4ECYP1A2
SCHEMBL254529 0.78 CA12 (0.50) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL29513208 0.78 CA12 (0.50) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL234263 0.78 ALDH1A1 (0.64) ALDH1A1CYP3A4MEN1MAPTTHRB
SCHEMBL29387850 0.78 ALDH1A1 (0.64) ALDH1A1CYP3A4MEN1MAPTTHRB
SCHEMBL1000566 0.78 ALDH1A1 (0.42) ALDH1A1CYP3A4MEN1KMT2ATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12344571-B1 Organic color center-tailored, semiconducting carbon nanotubes and their method of manufacture UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2025-07-01 US claimed
CN-118184650-A 6- (1H-pyrrolo [2,3-b ] pyridin-3-yl) quinazoline-4-amine derivative, and preparation method and application thereof 中国人民解放军北部战区总医院 2024-06-14 CN claimed
CN-117586206-A Pterocarpus stilbene piperidine amide derivative, preparation method and medical application thereof 安徽中医药大学 2024-02-23 CN claimed
CN-114478474-B Amide compound and preparation method thereof 中国科学院宁波材料技术与工程研究所 2023-06-30 CN claimed
CN-112004813-A Oxadiazole compounds for controlling phytopathogenic fungi PI工业有限公司 2020-11-27 CN claimed
US-10167275-B2 AZD9291 intermediate and preparation method therefor SUZHOU MIRACPHARMA TECHNOLOGY CO., LTD. (CN) 2019-01-01 US claimed
US-20180072706-A1 AZD9291 INTERMEDIATE AND PREPARATION METHOD THEREFOR SUZHOU MIRACPHARMA TECHNOLOGY CO., LTD. (CN) 2018-03-15 US claimed
EP-2906559-B1 AZAINDOLINES HOFFMANN LA ROCHE (CH) 2017-02-08 EP claimed
CN-104311485-B A kind of preparation method treating leukemic medicine bosutinib 烟台市华文欣欣医药科技有限公司 2016-08-24 CN claimed
US-9309248-B2 Azaindolines HOFFMANN-LA ROCHE INC. (US) 2016-04-12 US claimed
EP-1831206-B1 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS AND COMBINATORIAL BENZIMIDAZOLE LIBRARY OSI PHARM INC (US) 2011-08-24 EP claimed
CN-101020628-A Preparation method of 2, 4-difluoro-3-hydroxybenzoic acid CHEN WEIDONG (CN) 2007-08-22 CN claimed
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor YOHANNES DANIEL (US) 2004-06-10 US claimed
EP-1325006-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABA A? RECEPTOR NEUROGEN CORPORATION (US) 2003-07-09 EP claimed
US-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor PFIZER INC 2003-06-05 US claimed
EP-1030838-B1 METHOD OF SYNTHESIS OF PYRROLE AMIDES PFIZER PROD INC (US) 2003-01-22 EP claimed
WO-2002012442-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABAA RECEPTOR NEUROGEN CORPORATION (US) 2002-02-14 WO claimed
US-6262272-B1 REACTING FURAN CARBOXYLIC ACID DERIVATIVE WITH ACID CHLORIDE OR ACID ANHYDRIDE IN INERT SOLVENT CONTAINING ACID RECEPTOR; ADDING AROMATIC AMINE COMPOUND TO FORM PYRROLE CARBOXAMIDE COMPOUND PFIZER INC 2001-07-17 US claimed
EP-1030838-A1 METHOD OF SYNTHESIS OF PYRROLE AMIDES Pfizer Products Inc. (US) 2000-08-30 EP claimed
WO-1999025684-A1 METHOD OF SYNTHESIS OF PYRROLE AMIDES PFIZER PRODUCTS INC. (US) 1999-05-27 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 (5 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-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 ALDH1A1 1197/4885CYP3A4 403/4885MEN1 2641/4885
US-10167275-B2 AZD9291 intermediate and preparation method therefor WEE2, WEE1, PIM1 ALDH1A1 1494/4885CYP3A4 134/4885MEN1 1426/4885
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 ALDH1A1 1197/4885CYP3A4 403/4885MEN1 2641/4885
US-20180072706-A1 AZD9291 INTERMEDIATE AND PREPARATION METHOD THEREFOR WEE2, WEE1, PIM1 ALDH1A1 1494/4885CYP3A4 134/4885MEN1 1426/4885
US-12344571-B1 Organic color center-tailored, semiconducting carbon nanotubes and their method of manufacture NOS1, NOS3, NOS2 ALDH1A1 754/4885CYP3A4 1460/4885MEN1 4081/4885

“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.