SCHEMBL3932283

SCHEMBL3932283

CC(=O)OCC(=O)NC(Sc1ncccc1C(=O)Nc1cccc(C(C)C)c1)c1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.43
KMT2A Q03164 1/20 0.42
FADS1 O60427 1/20 0.42
ALDH1A1 P00352 3/20 0.40
NPSR1 Q6W5P4 1/20 0.39
BRAF P15056 1/20 0.39
LMNA P02545 1/20 0.38
CBLB Q13191 1/20 0.38
ATM Q13315 1/20 0.37
AKR1C3 P42330 1/20 0.37

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
SCHEMBL1941840 0.91 KMT2A (0.43) KDRKMT2AALDH1A1NPSR1LMNA
SCHEMBL1941536 0.89 KMT2A (0.46) KDRKMT2AFADS1BRAFLMNA
SCHEMBL3926542 0.89 KDR (0.50) KDRKMT2AALDH1A1NPSR1LMNA
SCHEMBL1941453 0.88 KMT2A (0.45) KDRKMT2AFADS1ALDH1A1NPSR1
SCHEMBL1941540 0.87 KMT2A (0.44) KDRKMT2AALDH1A1LMNAATM
SCHEMBL1942512 0.85 KDR (0.56) KDRKMT2AALDH1A1LMNA
SCHEMBL1941267 0.85 L3MBTL1 (0.51) KDRKMT2AALDH1A1LMNAATM
SCHEMBL3935812 0.84 KMT2A (0.42) KDRKMT2AFADS1ALDH1A1NPSR1
SCHEMBL3927552 0.84 KMT2A (0.45) KDRKMT2A
SCHEMBL3924825 0.84 KDR (0.52) KDRKMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544703-B2 Cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 US disclosed
US-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-06-28 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-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein FLT4, FLT1, TIE1 KDR 12/4885KMT2A 2966/4885FADS1 3003/4885

“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.