SCHEMBL13174693

SCHEMBL13174693

O=C(O)c1cc2cc3c(cc2[nH]1)OCCO3

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.56
SMAD3 P84022 1/20 0.49
KDM4E B2RXH2 5/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
ALDH1A1 P00352 2/20 0.47
F7 P08709 1/20 0.47
F3 P13726 1/20 0.47
PIN1 Q13526 1/20 0.47
PDPK1 O15530 1/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
APEX1 P27695 1/20 0.47
CYP2C19 P33261 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
DAO P14920 3/20 0.47
MAPT P10636 1/20 0.47
SRD5A2 P31213 1/20 0.47
EIF4A3 P38919 2/20 0.45

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
SCHEMBL13174691 0.93 GPR35 (0.53) GPR35SMAD3KDM4EHPGDHSD17B10
SCHEMBL2400125 0.90 GPR35 (0.56) GPR35SMAD3KDM4EHPGDHSD17B10
SCHEMBL30817138 0.90 GPR35 (0.56) GPR35SMAD3KDM4EHPGDHSD17B10
SCHEMBL10002693 0.77 POLB (0.40) KDM4EHPGDHSD17B10ALDH1A1LMNA
SCHEMBL16821915 0.75 CA2 (0.54) GPR35KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL4806974 0.74 GPR35 (0.46) GPR35SMAD3KDM4EHPGDHSD17B10
SCHEMBL27308391 0.74 CA2 (0.41) KDM4EHPGDHSD17B10ALDH1A1LMNA
SCHEMBL5716697 0.72 RAB9A (0.56) KDM4EHPGDALDH1A1LMNATSHR
SCHEMBL49512 0.72 GPR35 (1.00) GPR35SMAD3KDM4EHPGDHSD17B10
SCHEMBL29461453 0.72 GPR35 (0.66) GPR35SMAD3KDM4EHPGDHSD17B10

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
US-20240018119-A1 CARBOXAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING MENTAL ILLNESS TRINEURO (KR) 2024-01-18 US disclosed
US-20230212144-A1 5-MEMBERED HETEROARYL DERIVATIVE CONTAINING AT LEAST ONE N, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING MENTAL DISORDERS, CONTAINING SAME AS ACTIVE INGREDIENT TRINEURO (KR) 2023-07-06 US disclosed
WO-2021241982-A1 5-MEMBERED HETEROARYL DERIVATIVE CONTAINING AT LEAST ONE N, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING MENTAL DISORDERS, CONTAINING SAME AS ACTIVE INGREDIENT 재단법인 대구경북첨단의료산업진흥재단 2021-12-02 WO disclosed
WO-2021241876-A1 CARBOXAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING MENTAL ILLNESS 재단법인 대구경북첨단의료산업진흥재단 2021-12-02 WO disclosed
WO-2010101127-A1 INDOLE COMPOUND アステラス製薬株式会社 (JP) 2010-09-10 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-20240018119-A1 CARBOXAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING MENTAL ILLNESS MAOA, DRD2, MAOB GPR35 810/4885SMAD3 4038/4885KDM4E 693/4885
US-20230212144-A1 5-MEMBERED HETEROARYL DERIVATIVE CONTAINING AT LEAST ONE N, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING MENTAL DISORDERS, CONTAINING SAME AS ACTIVE INGREDIENT HTR5A, HTR2C, TPH1 GPR35 667/4885SMAD3 2016/4885KDM4E 1651/4885

“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.