SCHEMBL1991634

SCHEMBL1991634

O=c1c2ncsc2[nH]c(=S)n1-c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.45
NPSR1 Q6W5P4 3/20 0.43
RXFP1 Q9HBX9 3/20 0.43
PPARG P37231 2/20 0.43
NR2E3 Q9Y5X4 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
HTT P42858 2/20 0.40
TSHR P16473 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
ALDH1A1 P00352 4/20 0.37
POLB P06746 2/20 0.37
CYP2C9 P11712 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL5481157 0.86 MAPT (0.45) HPGDNPSR1RXFP1PPARGCA12
SCHEMBL2233781 0.73 LOXL3 (0.48) HPGDNPSR1RXFP1PPARGNR2E3
Hydrochloric Acid SCHEMBL1995732 0.71 HPGD (0.43) HPGDNPSR1RXFP1PPARGNR2E3
SCHEMBL11920288 0.69 TSHR (0.36) NPSR1HTTTSHRALDH1A1POLB
SCHEMBL1991949 0.69 TSHR (0.35) NPSR1HTTTSHRPOLBCYP1A2
Hydrochloric Acid SCHEMBL2234244 0.69 TSHR (0.35) NPSR1HTTTSHRALDH1A1POLB
SCHEMBL18239987 0.66 PDE7A (0.77) HPGDNPSR1RXFP1PPARGNR2E3
SCHEMBL31419817 0.66 PDE7A (0.77) HPGDNPSR1RXFP1PPARGNR2E3
SCHEMBL5433382 0.65 MAPT (0.45) CA12CA1CA2CA9ALDH1A1
SCHEMBL31046649 0.65 CNOT7 (0.48) HPGDNPSR1RXFP1HTTALDH1A1

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
EP-1866310-B1 2,3-SUBSTITUTED FUSED PYRIMIDIN-4(3H)-ONES AS VR1 ANTAGONISTS MERCK SHARP & DOHME (GB) 2012-07-11 EP disclosed
US-20110152242-A1 2,3-Substituted Fused Pyrimidin -4 (3H)-Ones as VR1 Antagonists MERCK SHARP & DOHME LTD. (GB) 2011-06-23 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 (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-20110152242-A1 2,3-Substituted Fused Pyrimidin -4 (3H)-Ones as VR1 Antagonists NR2C2, NR3C2, NR2E3 HPGD 1826/4885NPSR1 17/4885RXFP1 159/4885

“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.