SCHEMBL4908804

SCHEMBL4908804

COc1ccc(Nc2nc3c([N+](=O)[O-])cccc3s2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.60
MEN1 O00255 7/20 0.60
KMT2A Q03164 7/20 0.60
NPC1 O15118 6/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
NFKB1 P19838 2/20 0.60
NFKB2 Q00653 2/20 0.60
RELA Q04206 2/20 0.60
POLB P06746 2/20 0.60
MAPT P10636 10/20 0.55
MCL1 Q07820 1/20 0.55
ALDH1A1 P00352 5/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
ALOX15 P16050 1/20 0.51
CYP2C19 P33261 1/20 0.51
IDO1 P14902 1/20 0.50
HTT P42858 4/20 0.47
GAA P10253 3/20 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
SCHEMBL4917181 0.86 MAPT (0.57) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL4916635 0.85 ALDH1A1 (0.58) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL4909472 0.81 CCNA2 (0.57) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL11210857 0.75 MEN1 (0.56) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL1822612 0.75 NPC1 (1.00) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL1014037 0.74 KMT2A (0.67) RAB9AMEN1KMT2ANPC1POLB
SCHEMBL18487252 0.74 NPC1 (0.53) RAB9AMEN1KMT2ANPC1POLB
SCHEMBL4920165 0.72 ALDH1A1 (0.50) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL3913669 0.71 MAPK1 (0.68) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL30310075 0.71 MAPK1 (0.68) RAB9AMEN1KMT2ANPC1SMN1; SMN2

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-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

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 RAB9A 2954/4885MEN1 3736/4885KMT2A 1541/4885

“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.