SCHEMBL4915044

SCHEMBL4915044

O=C(Cc1ccccc1)Nc1cccc2sc(Nc3ccccc3)nc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.55
CSNK1D P48730 4/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
ALDH1A1 P00352 5/20 0.52
NPSR1 Q6W5P4 3/20 0.52
ALOX12 P18054 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.50
EPHX2 P34913 1/20 0.48
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
MAPT P10636 4/20 0.47
RAB9A P51151 4/20 0.47
HTT P42858 2/20 0.47
BLM P54132 1/20 0.47

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
SCHEMBL4913799 0.89 NPC1 (0.44) SMN1; SMN2CSNK1DNFKB1NFKB2RELA
SCHEMBL4913185 0.88 NPC1 (0.53) SMN1; SMN2CSNK1DALDH1A1NPSR1CYP1A2
SCHEMBL4908655 0.87 GAA (0.50) SMN1; SMN2NFKB1NFKB2RELAALDH1A1
SCHEMBL5320844 0.83 MAPT (0.38) SMN1; SMN2CSNK1DNFKB1NFKB2RELA
SCHEMBL4915377 0.83 MAPT (0.59) SMN1; SMN2NFKB1NFKB2RELAALDH1A1
SCHEMBL4916241 0.83 DYRK1A (0.56) SMN1; SMN2NFKB1NFKB2RELAALDH1A1
SCHEMBL4908696 0.81 NPC1 (0.52) SMN1; SMN2ALDH1A1NPSR1CYP1A2CYP2C9
SCHEMBL14006468 0.81 RAB9A (0.60) SMN1; SMN2ALDH1A1NPSR1MEN1KMT2A
SCHEMBL4922825 0.80 NPC1 (0.58) SMN1; SMN2CSNK1DNFKB1NFKB2RELA
SCHEMBL4919280 0.80 MAPT (0.48) SMN1; SMN2NFKB1NFKB2RELAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293785-A1 SUBSTITUTED BENZOTHIAZOLE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-11-27 US claimed
US-20080293785-A1 SUBSTITUTED BENZOTHIAZOLE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-11-27 US disclosed
US-20080293785-A1 SUBSTITUTED BENZOTHIAZOLE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-11-27 US disclosed
US-20080293785-A1 SUBSTITUTED BENZOTHIAZOLE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-11-27 US disclosed
WO-2007121154-A2 SUBSTITUTED BENZOTHIAZOLE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-10-25 WO disclosed
WO-2007121154-A2 SUBSTITUTED BENZOTHIAZOLE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-10-25 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-20080293785-A1 SUBSTITUTED BENZOTHIAZOLE KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K2 SMN1; SMN2 3063/4885CSNK1D 260/4885NFKB1 381/4885

“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.