SCHEMBL4409345

SCHEMBL4409345

COc1cc(F)c(C(=O)O)cc1Br

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.58
FYN P06241 1/20 0.58
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 3/20 0.46
KDM4E B2RXH2 3/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
FABP4 P15090 1/20 0.41

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 SCHEMBL4407960 0.98 LCK (0.56) LCKFYNALDH1A1HPGDHSD17B10
SCHEMBL15878443 0.93 LCK (0.62) LCKFYNALDH1A1HPGDHSD17B10
SCHEMBL4600091 0.87 LCK (0.59) LCKFYNALDH1A1HPGDHSD17B10
SCHEMBL30316008 0.87 LCK (0.59) LCKFYNALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL10978550 0.86 LCK (0.58) LCKFYNALDH1A1HPGDHSD17B10
SCHEMBL9958729 0.86 HTT (0.46) LCKFYNALDH1A1HPGDLMNA
SCHEMBL25339845 0.85 LCK (0.71) LCKFYNALDH1A1HPGDHSD17B10
SCHEMBL1918763 0.85 LCK (0.66) LCKFYNALDH1A1HPGDHSD17B10
SCHEMBL30448157 0.85 LCK (0.71) LCKFYNALDH1A1HPGDHSD17B10
SCHEMBL1766160 0.85 LCK (0.60) LCKFYNALDH1A1HPGDHSD17B10

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250179000-A1 METABOTROPIC GLUTAMATE RECEPTOR POSITIVE ALLOSTERIC MODULATORS (PAMS) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2025-06-05 US disclosed
EP-4452918-A1 METABOTROPIC GLUTAMATE RECEPTOR POSITIVE ALLOSTERIC MODULATORS (PAMS) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2024-10-30 EP disclosed
US-20240109891-A1 NOVEL SUBSTITUTED TRICYCLIC AZA-HETEROCYCLES AS SOS1 INHIBITORS VIVA STAR BIOSCIENCES (SUZHOU) CO., LTD. (CN) 2024-04-04 US disclosed
CN-117561258-A Novel substituted tricyclic aza heterocycles as SOS1 inhibitors 唯久生物技术(苏州)有限公司 2024-02-13 CN disclosed
CN-117500786-A TEAD inhibitors 奥赖恩公司 2024-02-02 CN disclosed
WO-2023122276-A1 METABOTROPIC GLUTAMATE RECEPTOR POSITIVE ALLOSTERIC MODULATORS (PAMS) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2023-06-29 WO disclosed
WO-2022187236-A1 NOVEL SUBSTITUTED TRICYCLIC AZA-HETEROCYCLES AS SOS1 INHIBITORS VIVA STAR BIOSCIENCES (SUZHOU) CO., LTD. (CN) 2022-09-09 WO disclosed
US-20130345462-A1 PROCESS FOR PRODUCTION OF 4-OXOQUINOLINE COMPOUND JAPAN TOBACCO INC. (JP) 2013-12-26 US disclosed
US-8420821-B2 Process for production of 4-oxoquinoline compound JAPAN TOBACCO INC. (JP) 2013-04-16 US disclosed
US-8420821-B2 Process for production of 4-oxoquinoline compound JAPAN TOBACCO INC. (JP) 2013-04-16 US disclosed
US-8420821-B2 Process for production of 4-oxoquinoline compound JAPAN TOBACCO INC. (JP) 2013-04-16 US disclosed
CN-101437801-B Process for preparing 4-oxoquinoline compounds JAPAN TOBACCO INC 2013-02-06 CN disclosed
US-20090318702-A1 PROCESS FOR PRODUCTION OF 4-OXOQUINOLINE COMPOUND SHIONOGI & CO., LTD. (JP) 2009-12-24 US disclosed
US-20090318702-A1 PROCESS FOR PRODUCTION OF 4-OXOQUINOLINE COMPOUND SHIONOGI & CO., LTD. (JP) 2009-12-24 US disclosed
US-20090318702-A1 PROCESS FOR PRODUCTION OF 4-OXOQUINOLINE COMPOUND SHIONOGI & CO., LTD. (JP) 2009-12-24 US disclosed
CN-101437801-A Process for preparing 4-oxoquinoline compounds JAPAN TOBACCO INC (JP) 2009-05-20 CN 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-20130345462-A1 PROCESS FOR PRODUCTION OF 4-OXOQUINOLINE COMPOUND CYP4X1, CYP3A4, CYP3A7 LCK 2817/4885FYN 2596/4885ALDH1A1 1354/4885
US-20250179000-A1 METABOTROPIC GLUTAMATE RECEPTOR POSITIVE ALLOSTERIC MODULATORS (PAMS) AND USES THEREOF GRM3, GRM2, GRM1 LCK 3187/4885FYN 3993/4885ALDH1A1 4468/4885
US-20240109891-A1 NOVEL SUBSTITUTED TRICYCLIC AZA-HETEROCYCLES AS SOS1 INHIBITORS SOS1, SOS2, KSR1 LCK 1472/4885FYN 2196/4885ALDH1A1 4112/4885
US-20090318702-A1 PROCESS FOR PRODUCTION OF 4-OXOQUINOLINE COMPOUND CYP4X1, CYP3A4, CYP3A7 LCK 2817/4885FYN 2596/4885ALDH1A1 1354/4885

“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.