SCHEMBL3727601

SCHEMBL3727601

O=C(Nc1nnc(Cc2ccccc2Br)s1)c1ccc2c(c1)CCNC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PTGER3 P43115 1/20 0.44
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 3/20 0.43
GLS O94925 2/20 0.43
F2 P00734 1/20 0.43
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43
PLAT P00750 1/20 0.43
KLKB1 P03952 1/20 0.43
PRSS1 P07477 1/20 0.43
LMNA P02545 1/20 0.42
SRC P12931 1/20 0.42
DGAT1 O75907 2/20 0.42
PTPN1 P18031 1/20 0.41
RPS6KA2 Q15349 1/20 0.41
NPSR1 Q6W5P4 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
Hydrochloric Acid SCHEMBL3726314 0.99 MEN1 (0.43) MEN1KMT2ANPC1RAB9APTGER3
SCHEMBL3732002 0.89 DGAT1 (0.54) MEN1KMT2ANPC1RAB9APTGER3
SCHEMBL3731619 0.89 DGAT1 (0.54) MEN1KMT2ANPC1RAB9APTGER3
Hydrochloric Acid SCHEMBL3734745 0.88 DGAT1 (0.53) MEN1KMT2ANPC1RAB9APTGER3
Hydrochloric Acid SCHEMBL3733892 0.88 DGAT1 (0.53) MEN1KMT2ANPC1RAB9APTGER3
SCHEMBL3727132 0.87 MEN1 (0.49) MEN1KMT2ANPC1RAB9APTGER3
SCHEMBL3733167 0.87 NPC1 (0.61) MEN1KMT2ANPC1RAB9ARXFP1
SCHEMBL3737330 0.86 PTPN1 (0.43) MEN1KMT2ANPC1RAB9APTGER3
Hydrochloric Acid SCHEMBL3738278 0.86 MEN1 (0.48) MEN1KMT2ANPC1RAB9APTGER3
Hydrochloric Acid SCHEMBL3729498 0.86 PTPN1 (0.42) MEN1KMT2ANPC1RAB9APTGER3

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-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE BOUILLOT ANNE MARIE JEANNE 2010-05-13 US claimed
US-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE BOUILLOT ANNE MARIE JEANNE 2010-05-13 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-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 MEN1 4844/4885KMT2A 3443/4885NPC1 416/4885

“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.