SCHEMBL3035802

SCHEMBL3035802

CCN(CC)CC.O=C(O)Cn1cnc2cccc([N+](=O)[O-])c21

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.50
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
PKM P14618 2/20 0.43
KDM4E B2RXH2 2/20 0.43
STAT1 P42224 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.41
PTGS2 P35354 1/20 0.39
HTT P42858 1/20 0.38
POLB P06746 1/20 0.38
CSNK2A2 P19784 2/20 0.36
CSNK2A1 P68400 2/20 0.36
ADORA2B P29275 1/20 0.36

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
SCHEMBL3045527 1.00 FGFR1 (0.50) FGFR1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2693379 0.93 FGFR1 (0.57) FGFR1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL14283222 0.84 FGFR1 (0.52) FGFR1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2691958 0.81 FGFR1 (0.52) FGFR1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6117596 0.81 FGFR1 (0.57) FGFR1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4978407 0.80 CSNK2A2 (0.46) SMN1; SMN2RAB9APTGS2CSNK2A2CSNK2A1
SCHEMBL27645595 0.78 FGFR1 (0.46) FGFR1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL3048347 0.76 KMT2A (0.47) FGFR1ALDH1A1SMN1; SMN2PKMKDM4E
SCHEMBL4972896 0.75 KDM4E (0.41) ALDH1A1SMN1; SMN2KDM4EL3MBTL1PTGS2
SCHEMBL3042865 0.74 SMN1; SMN2 (0.53) FGFR1ALDH1A1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147760-A1 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives PHARMACIA & UPJOHN COMPANY 2004-07-29 US claimed
US-7645781-B2 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives PFIZER INC (US) 2010-01-12 US disclosed
US-20070015801-A1 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives THOMAS RICHARD C 2007-01-18 US disclosed
US-7141588-B2 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives PFIZER, INC. (US) 2006-11-28 US disclosed
EP-1626964-A2 NEW BENZIMIDAZOLE DERIVATIVES AstraZeneca AB (SE) 2006-02-22 EP disclosed
WO-2004100865-A2 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2004-11-25 WO disclosed
US-20040147760-A1 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives PHARMACIA & UPJOHN COMPANY 2004-07-29 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-20040147760-A1 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives OXA1L, AADAC, MT-ND5 FGFR1 2515/4885ALDH1A1 956/4885SMN1; SMN2 2043/4885
US-20070015801-A1 N-aryl-2-oxazolidinone-5-carboxamides and their derivatives OXA1L, AADAC, MT-ND5 FGFR1 2515/4885ALDH1A1 956/4885SMN1; SMN2 2043/4885

“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.