SCHEMBL7119865

SCHEMBL7119865

Nc1c(C(=O)O)cccc1-c1ccsc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.47
CASP7 P55210 1/20 0.47
CASP6 P55212 1/20 0.47
ACMSD Q8TDX5 1/20 0.46
DHODH Q02127 1/20 0.42
GPR35 Q9HC97 1/20 0.41
HNF4A P41235 1/20 0.41
CHEK2 O96017 2/20 0.41
MYC P01106 1/20 0.40
CYP2E1 P05181 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2B6 P20813 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
THRB P10828 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
SCHEMBL1526618 0.83 ACMSD (0.51) ACMSDDHODHGPR35HNF4AMYC
SCHEMBL17744826 0.81 G6PD (0.59) G6PDCASP7CASP6HNF4AMYC
SCHEMBL7126568 0.81 DHODH (0.51) ACMSDDHODHGPR35HNF4ACYP2E1
SCHEMBL758071 0.79 HNF4A (0.63) G6PDCASP7CASP6HNF4AMYC
SCHEMBL9851131 0.78 G6PD (0.65) G6PDCASP7CASP6HNF4AMYC
SCHEMBL14775717 0.78 CCNE2 (0.43) GPR35CYP2E1CYP2A6CYP2B6MEN1
SCHEMBL17744770 0.78 G6PD (0.55) G6PDCASP7CASP6ACMSDHNF4A
SCHEMBL28115051 0.77 IKBKB (0.54) G6PDCASP7CASP6DHODHHNF4A
SCHEMBL17744805 0.76 CASP7 (0.53) G6PDCASP7CASP6HNF4AMYC
SCHEMBL10435109 0.76 CYP2C8 (0.43) MEN1KMT2A

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.