SCHEMBL5909331

SCHEMBL5909331

Cc1ccc(C(=O)N2CCC[C@H](C(N)=O)C2)cn1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.72
KMT2A Q03164 3/20 0.65
MEN1 O00255 2/20 0.65
LMNA P02545 1/20 0.65
GLA P06280 1/20 0.63
HSD17B10 Q99714 1/20 0.63
VNN1 O95497 1/20 0.57
PDE2A O00408 1/20 0.54
GRM5 P41594 2/20 0.53
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
PKM P14618 1/20 0.52
BLM P54132 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
RAB9A P51151 2/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL5909361 1.00 ALDH1A1 (0.72) ALDH1A1KMT2AMEN1LMNAGLA
SCHEMBL5909223 1.00 ALDH1A1 (0.72) ALDH1A1KMT2AMEN1LMNAGLA
SCHEMBL5908999 0.92 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1LMNAGLA
SCHEMBL14731432 0.85 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1LMNAPDE2A
SCHEMBL6265337 0.84 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1LMNAVNN1
SCHEMBL5909278 0.84 ALDH1A1 (0.63) ALDH1A1KMT2AMEN1LMNAVNN1
SCHEMBL5909199 0.84 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1LMNAVNN1
SCHEMBL5908995 0.83 HPGD (0.72) ALDH1A1KMT2AMEN1LMNAHSD17B10
SCHEMBL3315157 0.83 GLA (0.75) ALDH1A1KMT2AMEN1GLAHSD17B10
SCHEMBL3315160 0.83 GLA (0.75) ALDH1A1KMT2AMEN1GLAHSD17B10

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-20030195195-A1 Substituted pyridines having antiangiogenic activity ABBOTT LABORATORIES 2003-10-16 US claimed
US-20060030557-A1 Substituted pyridines having antiangiogenic activity HAVIV FORTUNA 2006-02-09 US disclosed
EP-1494672-A1 AMINOCARBONYL SUBSTITUTED PYRIDINES, PYRIDAZINES, PYRIMIDINES, PYRAZINES AND TRIAZINES HAVING ANTIANGIOGENIC ACTIVITY Abbott Laboratories (US) 2005-01-12 EP disclosed
US-20040014744-A1 Substituted pyridines having antiangiogenic activity ABBOTT LABORATORIES 2004-01-22 US disclosed
WO-2003086398-A1 AMINOCARBONYL SUBSTITUTED PYRIDINES, PYRIDAZINES, PYRIMIDINES, PYRAZINES AND TRIAZINES HAVING ANTIANGIOGENIC ACTIVITY ABBOTT LABORATORIES (US) 2003-10-23 WO disclosed
US-20030195195-A1 Substituted pyridines having antiangiogenic activity ABBOTT LABORATORIES 2003-10-16 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 (3 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-20040014744-A1 Substituted pyridines having antiangiogenic activity FLT1, FLT4, KDR ALDH1A1 206/4885KMT2A 3266/4885MEN1 2787/4885
US-20030195195-A1 Substituted pyridines having antiangiogenic activity FLT1, FLT4, KDR ALDH1A1 206/4885KMT2A 3266/4885MEN1 2787/4885
US-20060030557-A1 Substituted pyridines having antiangiogenic activity FLT4, KDR, FLT1 ALDH1A1 424/4885KMT2A 3317/4885MEN1 3483/4885

“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.