SCHEMBL3868043

SCHEMBL3868043

Cc1ccc(C(=O)N2CC[C@@H](NC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2)cn1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.48
ALDH1A1 P00352 7/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 2/20 0.48
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
HTT P42858 2/20 0.45
ALOX12 P18054 1/20 0.45
KMT2A Q03164 1/20 0.44
EPHX2 P34913 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TNF P01375 1/20 0.44
PAX8 Q06710 1/20 0.44
NOD2 Q9HC29 1/20 0.44
NOD1 Q9Y239 1/20 0.44
HPGDS O60760 2/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL5745163 0.87 PRKAA2 (0.49) ALDH1A1SMN1; SMN2HPGDSPOLB
SCHEMBL3860102 0.87 PRKAA2 (0.49) ALDH1A1SMN1; SMN2HPGDSPOLB
SCHEMBL3866714 0.87 USP30 (0.54) ALDH1A1SMN1; SMN2LMNAKMT2AHPGDS
SCHEMBL5746938 0.81 ALDH1A1 (0.53) ALDH1A1LMNAKMT2AHPGDS
SCHEMBL3862880 0.81 ALDH1A1 (0.53) ALDH1A1LMNAKMT2AHPGDS
SCHEMBL3861404 0.81 ALDH1A1 (0.55) ALDH1A1LMNAKMT2AHPGDS
SCHEMBL5747495 0.81 ALDH1A1 (0.47) ALDH1A1LMNAKMT2A
SCHEMBL3860236 0.81 ALDH1A1 (0.47) ALDH1A1LMNAKMT2A
SCHEMBL4695544 0.80 ALDH1A1 (0.47) ALDH1A1LMNAKMT2A
SCHEMBL3862507 0.79 HRH3 (0.48) ALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592466-B2 Ureas having antiangiogenic activity ABBOTT LABORATORIES (US) 2009-09-22 US claimed
EP-1680415-B1 PYRROLIDINYL UREA DERIVATIVES AS ANGIOGENESIS INHIBITORS ABBOTT LAB (US) 2008-12-31 EP claimed
US-20060160806-A1 N-benzyl-N'-{(3R)-1-[(6-methylpyridin-3-yl)carbonyl]pyrrolidin-3-yl}urea ABBVIE INC. 2006-07-20 US claimed
EP-1680415-A1 PYRROLIDINYL UREA DERIVATIVES AS ANGIOGENESIS INHIBITORS Abbott Laboratories (US) 2006-07-19 EP claimed
WO-2005035524-A1 PYRROLIDINYL UREA DERIVATIVES AS ANGIOGENSIS INHIBITORS ABBOTT LABORATORIES (US) 2005-04-21 WO claimed
US-7592466-B2 Ureas having antiangiogenic activity ABBOTT LABORATORIES (US) 2009-09-22 US disclosed
EP-1680415-B1 PYRROLIDINYL UREA DERIVATIVES AS ANGIOGENESIS INHIBITORS ABBOTT LAB (US) 2008-12-31 EP disclosed
US-20060160806-A1 N-benzyl-N'-{(3R)-1-[(6-methylpyridin-3-yl)carbonyl]pyrrolidin-3-yl}urea ABBVIE INC. 2006-07-20 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 (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-20060160806-A1 N-benzyl-N'-{(3R)-1-[(6-methylpyridin-3-yl)carbonyl]pyrrolidin-3-yl}urea FLT4, FLT1, KDR MAPT 2923/4885ALDH1A1 1710/4885SMN1; SMN2 3676/4885

“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.