SCHEMBL7159232

SCHEMBL7159232

Nc1c(C(=O)O)cccc1-c1cccs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.49
CASP7 P55210 1/20 0.49
CASP6 P55212 1/20 0.49
KDM4E B2RXH2 3/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 2/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
PTPN1 P18031 1/20 0.46
GPR35 Q9HC97 2/20 0.44
LMNA P02545 3/20 0.44
ALOX15 P16050 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MYC P01106 1/20 0.41
FTO Q9C0B1 1/20 0.41
MMP2 P08253 1/20 0.41
POLB P06746 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
SCHEMBL932848 0.82 ALOX15 (0.53) KDM4EMAPTALDH1A1HPGDPTPN1
SCHEMBL7125127 0.80 DHODH (0.49) KDM4EMAPTALDH1A1HSD17B10GAA
SCHEMBL4596567 0.80 KDM4E (0.51) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL9851131 0.80 G6PD (0.65) G6PDCASP7CASP6KDM4EMAPT
SCHEMBL11482371 0.80 KDM4E (0.51) G6PDCASP7CASP6KDM4EMAPT
SCHEMBL1823757 0.77 GPR35 (0.52) KDM4EMAPTALDH1A1HSD17B10GAA
SCHEMBL17744802 0.76 G6PD (0.61) G6PDCASP7CASP6KDM4EMAPT
Hydrochloric Acid SCHEMBL1825977 0.75 GPR35 (0.51) KDM4EMAPTALDH1A1HSD17B10GAA
SCHEMBL12279980 0.75 GPR35 (0.51) KDM4EMAPTALDH1A1HSD17B10GAA
SCHEMBL15365507 0.74 TDO2 (0.46) KDM4EMAPTALDH1A1HSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030176454-A1 N-coating heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 US disclosed
WO-2001087845-A2 N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-22 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 (1 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-20030176454-A1 N-coating heterocyclic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GNE, NIT2 G6PD 3045/4885CASP7 1467/4885CASP6 3495/4885

“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.