SCHEMBL6286786

SCHEMBL6286786

O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ncc(-c2ccccc2)s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ1A Q9NRL2 2/20 0.65
KMT2A Q03164 8/20 0.61
MEN1 O00255 7/20 0.61
MAPT P10636 5/20 0.61
HTT P42858 4/20 0.61
DDX3X O00571 2/20 0.61
POLB P06746 2/20 0.61
CTDSP1 Q9GZU7 1/20 0.61
CNR1 P21554 2/20 0.61
NPC1 O15118 4/20 0.60
RAB9A P51151 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
LMNA P02545 2/20 0.60
ALDH1A1 P00352 1/20 0.60
RIPK1 Q13546 1/20 0.56
GAA P10253 2/20 0.55
KDR P35968 1/20 0.53
MAPK1 P28482 1/20 0.53
THRB P10828 1/20 0.53
MAPK9 P45984 1/20 0.53

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
SCHEMBL6282681 0.88 CNR1 (0.70) BAZ1AKMT2AMEN1MAPTHTT
SCHEMBL6281775 0.84 CNR1 (0.82) KMT2AMEN1MAPTHTTCNR1
SCHEMBL6278567 0.84 KMT2A (0.64) BAZ1AKMT2AMEN1MAPTHTT
SCHEMBL6287725 0.83 CCNE1 (0.67) BAZ1AKMT2AMEN1MAPTHTT
SCHEMBL6279016 0.82 CNR1 (0.67) KMT2AMEN1MAPTHTTPOLB
SCHEMBL6288099 0.81 CNR1 (0.66) KMT2AMEN1MAPTHTTDDX3X
SCHEMBL6284017 0.81 CNR1 (0.77) KMT2AMEN1MAPTHTTPOLB
SCHEMBL6283917 0.81 CCNE1 (0.61) BAZ1AKMT2AMEN1MAPTHTT
SCHEMBL6129390 0.80 MEN1 (0.90) BAZ1AKMT2AMEN1MAPTHTT
SCHEMBL1047211 0.78 MEN1 (1.00) BAZ1AKMT2AMEN1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157827-A1 2-Ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents PEVARELLO PAOLO (IT) 2004-08-12 US claimed
US-20030187040-A1 2-Ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2003-10-02 US claimed
US-6863647-B2 2-Ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents PHARMACIA & UPJOHN S.P.A. (IT) 2005-03-08 US disclosed
US-20040157827-A1 2-Ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents PEVARELLO PAOLO (IT) 2004-08-12 US disclosed
US-20030187040-A1 2-Ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2003-10-02 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-20030187040-A1 2-Ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents UCK2, ULK3, CDK2 BAZ1A 634/4885KMT2A 2751/4885MEN1 1294/4885
US-20040157827-A1 2-Ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents UCK2, ULK3, CDK2 BAZ1A 634/4885KMT2A 2751/4885MEN1 1294/4885

“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.