SCHEMBL3900580

SCHEMBL3900580

Cc1ccc(C(=O)N(C)[C@H](C)c2ccccc2)c(NS(=O)(=O)C2=CC=CN3SNC=C23)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LIMK2 P53671 2/20 0.36
KCNA5 P22460 4/20 0.34
MCL1 Q07820 2/20 0.33
ACLY P53396 2/20 0.32
METAP2 P50579 1/20 0.32
TACR1 P25103 2/20 0.31
EGLN1 Q9GZT9 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GHSR Q92847 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL5728424 1.00 LIMK2 (0.36) LIMK2KCNA5MCL1ACLYMETAP2
SCHEMBL3902233 0.92
SCHEMBL5728245 0.91 CCKBR (0.38) LIMK2ACLYEGLN1GHSR
SCHEMBL3902484 0.91 CCKBR (0.36) LIMK2ACLYEGLN1
SCHEMBL3899517 0.91 CCKBR (0.38) LIMK2ACLYEGLN1GHSR
SCHEMBL3902462 0.91 LIMK2 (0.38) LIMK2KCNA5EGLN1GHSR
SCHEMBL3900502 0.91 CCKBR (0.36) LIMK2ACLYEGLN1
SCHEMBL5443012 0.91 CCKBR (0.36) LIMK2ACLYEGLN1
SCHEMBL3900162 0.89 USP2 (0.35) LIMK2KCNA5MCL1ACLY
SCHEMBL3901475 0.86 LIMK2 (0.36) LIMK2KCNA5ACLY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550492-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-06-23 US disclosed
US-20070276016-A1 BENZO[1,2,5]THIADIAZOLE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-29 US disclosed
US-7241759-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 US disclosed
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2004-11-11 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 (2 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-20070276016-A1 BENZO[1,2,5]THIADIAZOLE COMPOUNDS CCKBR, CCKAR, GIPR LIMK2 1140/4885KCNA5 4123/4885MCL1 1290/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 LIMK2 921/4885KCNA5 3959/4885MCL1 1352/4885

“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.