SCHEMBL26197486

SCHEMBL26197486

Cc1cc2ccccc2c(O)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
CYP2A6 P11509 2/20 0.45
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
PTPN22 Q9Y2R2 1/20 0.42
TRPM4 Q8TD43 1/20 0.42
CYP3A4 P08684 1/20 0.41
CHRM1 P11229 1/20 0.41
ALOX15 P16050 1/20 0.41
MAOA P21397 1/20 0.41
TBXA2R P21731 1/20 0.41
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
PKM P14618 1/20 0.41
NQO2 P16083 1/20 0.41
CASP6 P55212 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTGS1 P23219 1/20 0.40

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
SCHEMBL1699322 0.84 LMNA (0.48) CYP1A2CYP2A6LMNAHTTPTPN22
SCHEMBL11415820 0.81 CYP1A2 (0.50) CYP1A2CYP2A6MAOAALDH1A1HPGD
SCHEMBL4172887 0.81 LMNA (0.54) CYP1A2CYP2A6LMNAHTTPTPN22
SCHEMBL50068 0.79 TRPM4 (0.50) CYP1A2CYP2A6LMNAHTTPTPN22
SCHEMBL554286 0.79 HSD17B10 (0.48) CYP1A2CYP2A6LMNAHTTPTPN22
SCHEMBL30499577 0.79 HSD17B10 (0.48) CYP1A2CYP2A6LMNAHTTPTPN22
SCHEMBL15485758 0.79 NQO1 (0.50) CYP1A2CYP2A6LMNAHTTPTPN22
SCHEMBL30364741 0.79 TRPM4 (0.50) CYP1A2CYP2A6LMNAHTTPTPN22
SCHEMBL15093210 0.77 LMNA (0.46) CYP1A2CYP2A6LMNAHTTPTPN22
SCHEMBL29344183 0.76 CYP1A2 (0.45) CYP1A2CYP2A6LMNAHTTPTPN22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 US disclosed
US-20230279025-A1 KRAS G12D INHIBITORS ARRAY BIOPHARMA INC. 2023-09-07 US disclosed
CN-103140474-A Naphthalen-2-ylacetic acid derivatives for the treatment of AIDS GILEAD SCIENCES INC 2013-06-05 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 (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-20230279025-A1 KRAS G12D INHIBITORS KRAS, NRAS, HRAS CYP1A2 4527/4885CYP2A6 3249/4885LMNA 4065/4885
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT KRAS, NRAS, HRAS CYP1A2 4576/4885CYP2A6 3523/4885LMNA 4027/4885

“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.