SCHEMBL8250466

SCHEMBL8250466

CNC(=O)Cc1csc(NC(=O)OCc2cccnc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
NAMPT P43490 1/20 0.45
MAPK1 P28482 2/20 0.44
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
TSHR P16473 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43

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
SCHEMBL8245297 0.91 PDE5A (0.54) HTTMAPTMEN1KMT2AALDH1A1
SCHEMBL8248018 0.88 TSHR (0.49) HTTMAPTMEN1KMT2AALDH1A1
SCHEMBL3603106 0.88 ALDH1A1 (0.53) HTTMAPTMEN1KMT2AALDH1A1
SCHEMBL8247956 0.87 HTT (0.46) HTTMAPTMEN1KMT2AALDH1A1
SCHEMBL8249057 0.85 HDAC1 (0.53) HTTMAPTMEN1KMT2AALDH1A1
SCHEMBL8246412 0.84 HDAC3 (0.54) HTTMAPTMEN1KMT2AALDH1A1
SCHEMBL8249060 0.84 MEN1 (0.49) HTTMAPTMEN1KMT2AALDH1A1
SCHEMBL8247954 0.84 HTT (0.44) HTTMAPTMEN1KMT2AALDH1A1
SCHEMBL13316882 0.83 CSNK1D (0.53) HTTMAPTMEN1KMT2AALDH1A1
SCHEMBL3610567 0.83 FAAH (0.47) HTTMAPTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152188-A1 Novel Heterocyclic Compounds ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-06-17 US disclosed
US-20100152188-A1 Novel Heterocyclic Compounds ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-06-17 US disclosed
WO-2007017728-A2 NOVEL HETEROCYCLIC COMPOUNDS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-02-15 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-20100152188-A1 Novel Heterocyclic Compounds CYP11B2, CYP3A5, CYP11B1 HTT 1395/4885MAPT 2986/4885MEN1 116/4885

“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.