SCHEMBL3856965

SCHEMBL3856965

Cc1ccc(C(=O)N2CC[C@@H](NC(=O)NCC3CCCCC3)C2)cn1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.46
GRM5 P41594 5/20 0.44
EPHX1 P07099 2/20 0.44
VNN1 O95497 1/20 0.43
CCNK O75909 1/20 0.42
CDK12 Q9NYV4 1/20 0.42
PDE2A O00408 1/20 0.42
GAA P10253 1/20 0.42
EPHX2 P34913 2/20 0.42

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
SCHEMBL5746703 0.95 KMT2A (0.46) KMT2AALDH1A1LMNAMEN1GRM5
SCHEMBL3862788 0.95 KMT2A (0.46) KMT2AALDH1A1LMNAMEN1GRM5
SCHEMBL5748631 0.87 ALDH1A1 (0.53) KMT2AALDH1A1LMNAMEN1GRM5
SCHEMBL3856964 0.87 ALDH1A1 (0.53) KMT2AALDH1A1LMNAMEN1GRM5
SCHEMBL3861456 0.87 ALDH1A1 (0.53) KMT2AALDH1A1LMNAMEN1GRM5
SCHEMBL5746899 0.87 ALDH1A1 (0.53) KMT2AALDH1A1LMNAMEN1GRM5
SCHEMBL3866086 0.87 NAMPT (0.43) KMT2AALDH1A1LMNAMEN1VNN1
SCHEMBL5745597 0.86 KDM5B (0.53) KMT2AALDH1A1LMNAMEN1GRM5
SCHEMBL3864624 0.86 KDM5B (0.53) KMT2AALDH1A1LMNAMEN1GRM5
SCHEMBL3867365 0.84 ALDH1A1 (0.51) KMT2AALDH1A1LMNAMEN1GRM5

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 6 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
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 KMT2A 4101/4885ALDH1A1 1710/4885LMNA 2101/4885

“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.