SCHEMBL20577005

SCHEMBL20577005

COc1ccc(Cl)cc1C(Br)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TSHR P16473 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
ALDH1A1 P00352 7/20 0.44
HPGD P15428 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 2/20 0.43
LPAR1 Q92633 2/20 0.43
TDP1 Q9NUW8 3/20 0.42
MAPK1 P28482 1/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
MAPT P10636 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
SCHEMBL28349806 0.86 MEN1 (0.48) MEN1KMT2AALDH1A1NPSR1L3MBTL1
SCHEMBL29700134 0.86 MEN1 (0.48) MEN1KMT2AALDH1A1NPSR1L3MBTL1
SCHEMBL11093885 0.81 HTT (0.47) TTRMRGPRX4HTTMEN1KMT2A
SCHEMBL21723363 0.81 HTT (0.47) TTRHTTMEN1KMT2ATSHR
SCHEMBL20299495 0.81 HTT (0.42) HTTMEN1KMT2AALDH1A1NPSR1
SCHEMBL28120098 0.78 HTT (0.45) TTRHTTMEN1KMT2ATSHR
SCHEMBL7468522 0.78 KMT2A (0.53) HTTKMT2ATSHRALDH1A1HPGD
SCHEMBL4683537 0.77 CTSA (0.47) HTTMEN1KMT2AALDH1A1NPSR1
SCHEMBL8719077 0.76 TDP1 (0.51) TTRHTTMEN1KMT2AALDH1A1
SCHEMBL9239826 0.76 TDP1 (0.51) TTRHTTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110753691-B Compounds for therapeutic and/or prophylactic treatment of cancer 豪夫迈·罗氏有限公司 2024-02-02 CN disclosed
US-11117890-B2 Substituted isoindole allosteric EGFR inhibitors HOFFMAN LA-ROCHE INC. (US) 2021-09-14 US disclosed
EP-3630754-A1 COMPOUNDS H. Hoffnabb-La Roche Ag (CH) 2020-04-08 EP disclosed
US-20200102299-A1 COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-04-02 US disclosed
WO-2018220149-A1 COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2018-12-06 WO 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 (2 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-11117890-B2 Substituted isoindole allosteric EGFR inhibitors EGFR, ERBB2, ERBB3 TTR 2813/4885MRGPRX4 1974/4885HTT 2694/4885
US-20200102299-A1 COMPOUNDS EGFR, ERBB2, ERBB3 TTR 1745/4885MRGPRX4 2805/4885HTT 2602/4885

“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.