SCHEMBL515150

SCHEMBL515150

Cc1cc(Br)cc(C)c1I

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 3/20 0.32
MAPK1 P28482 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
HTR1D P28221 2/20 0.31
HTR1B P28222 2/20 0.31
CYP3A4 P08684 2/20 0.30
TSHR P16473 2/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL12699692 0.86 CYP3A4 (0.38) NQO2ALDH1A1CYP3A4TSHRTDP1
Acetic Acid SCHEMBL29701131 0.85 MEN1 (0.40) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL18299850 0.82 CYP3A4 (0.40) NQO2ALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL15430818 0.82 NQO2 (0.31) NQO2
SCHEMBL31089099 0.82 ALOX15 (0.36) NQO2ALDH1A1MAPK1KDM4ECYP1A2
SCHEMBL27642248 0.82 ALOX15 (0.36) NQO2ALDH1A1MAPK1KDM4ECYP1A2
SCHEMBL17643478 0.78 ALDH1A1 (0.34) ALDH1A1
SCHEMBL19468429 0.78 NQO2 (0.44) NQO2L3MBTL1ALDH1A1KDM4E
SCHEMBL31035450 0.77 SHBG (0.34) ALDH1A1
SCHEMBL31035135 0.77 ERN1 (0.44) ALDH1A1CYP1A2CYP2D6CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108948142-B Fluorescent probe targeting tumor cells and new vessels and preparation method thereof 川北医学院 2022-02-22 CN claimed
CN-108893106-B Fluorescent probe for detecting high-concentration gamma-glutamyl transpeptidase and preparation method thereof 川北医学院 2021-03-16 CN claimed
US-10431746-B2 Quaternized tetrazine-based donor-acceptor copolymers INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2019-10-01 US claimed
US-20180301630-A1 QUATERNIZED TETRAZINE-BASED DONOR-ACCEPTOR COPOLYMERS INTERNATIONAL BUSINESS MACHINES CORPORATION 2018-10-18 US claimed
CN-106010316-A Adhesive for steel volute and preparation method thereof 保定亿嘉特种陶瓷制造有限公司 2016-10-12 CN claimed
EP-2521722-B1 PROCESS FOR MAKING A METABOTROPIC GLUTAMATE RECEPTOR POSITIVE ALLOSTERIC MODULATOR - 874 ASTRAZENECA AB (SE) 2015-05-06 EP claimed
CN-102643213-B Preparation method of 3, 5-dimethyl-4-bromomethylbenzonitrile JIMING MEDICAL TECHNOLOGY SUZHOU CO LTD 2014-04-09 CN claimed
US-20130203995-A1 Process for Making a Metabotropic Glutamate Receptor Positive Allosteric Modulator - 874 ASTRAZENECA AB (SE) 2013-08-08 US claimed
EP-2521722-A1 PROCESS FOR MAKING A METABOTROPIC GLUTAMATE RECEPTOR POSITIVE ALLOSTERIC MODULATOR - 874 AstraZeneca AB (SE) 2012-11-14 EP claimed
CN-102643213-A Preparation method of 3, 5-dimethyl-4-bromomethylbenzonitrile JIMING MEDICAL TECHNOLOGY SUZHOU CO LTD 2012-08-22 CN claimed
WO-2011084098-A1 PROCESS FOR MAKING A METABOTROPIC GLUTAMATE RECEPTOR POSITIVE ALLOSTERIC MODULATOR - 874 ASTRAZENECA AB (SE) 2011-07-14 WO claimed
CN-122036699-A THR-beta modulators and methods of use thereof 阿利戈斯治疗公司 2026-05-15 CN disclosed
US-20250304561-A1 MODULATORS OF THR-BETA AND METHODS OF USE THEREOF ALIGOS THERAPEUTICS, INC. (US) 2025-10-02 US disclosed
US-20250236610-A1 3-[(1H-PYRAZOL-4-YL)OXY]PYRAZIN-2-AMINE COMPOUNDS AS HPK1 INHIBITOR AND USE THEREOF BEIGENE, LTD. (KY) 2025-07-24 US disclosed
US-20250179075-A1 MK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2025-06-05 US disclosed
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 US disclosed
WO-2007076431-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-05 WO disclosed
US-7189790-B2 Catalyst component for olefin polymerization, catalyst for α-olefin polymerization and process for the production of α-olefin polymer JAPAN POLYPROPYLENE CORPORATION (JP) 2007-03-13 US disclosed
EP-1520863-A1 Catalyst for alpha-olefin polymerisation and process for the production of alpha-olefin polymer Japan Polypropylene Corporation (JP) 2005-04-06 EP disclosed
US-20050070426-A1 Catalyst component for olefin polymerization, catalyst for alpha-olefin polymerization and process for the production of alpha-olefin polymer JAPAN POLYPROPYLENE CORPORATION (JP) 2005-03-31 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 (6 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-20130203995-A1 Process for Making a Metabotropic Glutamate Receptor Positive Allosteric Modulator - 874 GRM4, GRIK4, GRIA4 NQO2 3517/4885L3MBTL1 3380/4885ALDH1A1 3129/4885
US-20050070426-A1 Catalyst component for olefin polymerization, catalyst for alpha-olefin polymerization and process for the production of alpha-olefin polymer COG1, MSMO1, COG4 NQO2 4407/4885L3MBTL1 4142/4885ALDH1A1 269/4885
US-20250304561-A1 MODULATORS OF THR-BETA AND METHODS OF USE THEREOF THRB, THRA, TRHR NQO2 2914/4885L3MBTL1 1414/4885ALDH1A1 3330/4885
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 NQO2 3469/4885L3MBTL1 513/4885ALDH1A1 4184/4885
US-20250236610-A1 3-[(1H-PYRAZOL-4-YL)OXY]PYRAZIN-2-AMINE COMPOUNDS AS HPK1 INHIBITOR AND USE THEREOF HIPK1, HIPK3, HIPK2 NQO2 2942/4885L3MBTL1 3326/4885ALDH1A1 3156/4885
US-20250179075-A1 MK2 DEGRADERS AND USES THEREOF MKNK2, MKRN3, DUS2 NQO2 1239/4885L3MBTL1 4553/4885ALDH1A1 2904/4885

“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.