SCHEMBL2157643

SCHEMBL2157643

Cc1cc(C(=O)N(C)c2csc(-c3ccccc3)c2)ccc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 6/20 0.46
HSD17B1 P14061 5/20 0.46
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 1/20 0.40
PLAU P00749 1/20 0.38
OXTR P30559 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX12 P18054 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36

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
SCHEMBL2158629 0.81 HSD17B1 (0.47) HSD17B2HSD17B1MEN1KMT2ALMNA
SCHEMBL2158765 0.80 HPGD (0.45) HSD17B2HSD17B1MEN1KMT2APOLB
SCHEMBL2158030 0.80 CNR1 (0.52) HSD17B2HSD17B1KMT2ALMNAHTT
SCHEMBL2157908 0.79 HSD17B1 (0.44) HSD17B2HSD17B1MEN1KMT2ANPC1
SCHEMBL2158473 0.79 HSD17B2 (0.54) HSD17B2HSD17B1MEN1KMT2AHTT
SCHEMBL2157938 0.78 HSD17B1 (0.44) HSD17B2HSD17B1MEN1KMT2A
SCHEMBL2157847 0.78 HSD17B1 (0.50) HSD17B2HSD17B1MEN1KMT2AHTT
SCHEMBL2157714 0.78 ACLY (0.52) HSD17B2HSD17B1KMT2AHTTMAPT
SCHEMBL2249017 0.77 HSD17B1 (0.40) HSD17B2HSD17B1LMNAMAPT
SCHEMBL2158004 0.75 CNR1 (0.42) HSD17B2HSD17B1MEN1KMT2AMAPT

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-7985769-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
US-20060142347-A1 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2006-06-29 US disclosed
US-6881741-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-04-19 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-20060142347-A1 Compounds and methods for the treatment or prevention of Flavivirus infections HAVCR2, ZC3HAV1, MAVS HSD17B2 1131/4885HSD17B1 740/4885MEN1 3052/4885

“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.