SCHEMBL1750520

SCHEMBL1750520

O=C(O)c1ccc(C(S)c2ncccn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.43
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.43
NAPRT Q6XQN6 3/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
SRD5A2 P31213 3/20 0.40
DAO P14920 1/20 0.40
POLB P06746 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
KDM4E B2RXH2 3/20 0.38
CAMKK2 Q96RR4 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM6B O15054 1/20 0.38
KDM4A O75164 1/20 0.38
KDM5C P41229 1/20 0.38

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
SCHEMBL1749736 0.81 SLC6A3 (0.44) ANPEPTSHRTP53NAPRTSRD5A2
SCHEMBL4551073 0.72 TSHR (0.68) ANPEPTSHRTP53CA1CA2
SCHEMBL4414883 0.70 TSHR (0.43) ANPEPTSHRTP53NAPRTCA1
SCHEMBL4551417 0.69 ACP3 (0.42) ANPEPTSHRTP53NAPRTSRD5A2
SCHEMBL1939907 0.69 TSHR (0.55) ANPEPTSHRTP53NAPRTCA1
SCHEMBL1222172 0.69 MKNK1 (0.55) TSHRTP53NAPRTSRD5A2DAO
Terephthalic Acid SCHEMBL1648473 0.69 TSHR (0.55) TSHRTP53NAPRTCA1CA2
Terephthalic Acid SCHEMBL21443891 0.68 TSHR (0.92) TSHRTP53NAPRTCA1CA2
Terephthalic Acid SCHEMBL5969822 0.68 TSHR (0.92) TSHRTP53NAPRTCA1CA2
SCHEMBL23535837 0.68 CYP3A4 (0.49) TSHRNAPRTSRD5A2DAOPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968550-B2 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-06-28 US disclosed
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-09-06 US disclosed
US-7223788-B2 therapy for eating disorders, anorexigenic agents, antidiabetic agents, reducing weight in mammals, circadian rhythm disease, psychological disorders SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-29 US disclosed
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 US 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-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments CYP11B2, CYP11B1, CYP1A1 ANPEP 1606/4885TSHR 3707/4885TP53 4123/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 ANPEP 1246/4885TSHR 3597/4885TP53 4172/4885

“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.