SCHEMBL3725784

SCHEMBL3725784

O=C(Nc1nnc(Cc2ccc(C(F)(F)F)cc2)s1)c1ccc2c(c1)CCNC2

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
RXFP1 Q9HBX9 3/20 0.47
SCD O00767 1/20 0.46
DGAT1 O75907 5/20 0.45
MAPT P10636 1/20 0.45
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RPS6KA2 Q15349 1/20 0.42

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 SCHEMBL3731426 0.99 L3MBTL1 (0.48) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL3729733 0.90 SCD (0.57) MEN1KMT2ANPC1RAB9ARXFP1
SCHEMBL3728387 0.90 DGAT1 (0.52) L3MBTL1MEN1KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL3725765 0.90 SCD (0.57) MEN1KMT2ANPC1RAB9ARXFP1
Hydrochloric Acid SCHEMBL3729245 0.89 DGAT1 (0.51) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL13347614 0.89 MEN1 (0.49) MEN1KMT2ANPC1RAB9ARXFP1
SCHEMBL3737875 0.88 L3MBTL1 (0.59) L3MBTL1MEN1KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL3726986 0.88 MEN1 (0.48) MEN1KMT2ANPC1RAB9ARXFP1
SCHEMBL3733167 0.88 NPC1 (0.61) MEN1KMT2ANPC1RAB9ARXFP1
Hydrochloric Acid SCHEMBL3734681 0.87 L3MBTL1 (0.58) L3MBTL1MEN1KMT2ANPC1RAB9A

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 L3MBTL1 3539/4885MEN1 4844/4885KMT2A 3443/4885

“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.