SCHEMBL6282569

SCHEMBL6282569

O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ncc(Br)s1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.60
KMT2A Q03164 12/20 0.60
MAPT P10636 7/20 0.57
NPC1 O15118 6/20 0.57
RAB9A P51151 5/20 0.57
LMNA P02545 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
HTT P42858 3/20 0.57
ALDH1A1 P00352 2/20 0.57
POLB P06746 2/20 0.54
PABPC1 P11940 1/20 0.53
MAPK1 P28482 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
MYOC Q99972 1/20 0.52
XBP1 P17861 1/20 0.51
PAX8 Q06710 1/20 0.51
MCL1 Q07820 1/20 0.51
FBP1 P09467 1/20 0.48

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
SCHEMBL6278567 0.85 KMT2A (0.64) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6287994 0.82 SMN1; SMN2 (0.52) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL4602615 0.82 ALDH1A1 (0.51) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6287986 0.81 CDK2 (0.69) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6283947 0.81 CCNE1 (0.62) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6283549 0.81 MAPT (0.56) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6285641 0.81 RAB9A (0.70) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL4715713 0.80 CDK2 (0.63) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6282681 0.80 CNR1 (0.70) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6285988 0.79 MDM2 (0.58) MEN1KMT2AMAPTNPC1RAB9A

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 MEN1 1294/4885KMT2A 2751/4885MAPT 3745/4885
US-20040157827-A1 2-Ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents UCK2, ULK3, CDK2 MEN1 1294/4885KMT2A 2751/4885MAPT 3745/4885

“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.