SCHEMBL3924786

SCHEMBL3924786

CN1CCC(N(C)CC(=O)NC(Sc2ncccc2C(=O)Nc2ccc(C(C)(C)C)cc2)c2ccncc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
TRPV1 Q8NER1 6/20 0.37
KDR P35968 7/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
FLT1 P17948 4/20 0.36
PKM P14618 1/20 0.36
NR3C1 P04150 2/20 0.35

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
SCHEMBL3924375 0.89 TDP1 (0.46) KMT2AKDRKDM4EALDH1A1FLT1
SCHEMBL1941875 0.82 KMT2A (0.49) KMT2ATRPV1KDRFLT1
SCHEMBL3935938 0.82 KMT2A (0.44) KMT2ATRPV1KDRFLT1
SCHEMBL1941401 0.81 KDR (0.48) KMT2ATRPV1KDR
SCHEMBL3932887 0.81 KMT2A (0.48) KMT2ATRPV1KDRFLT1
SCHEMBL1941141 0.80 TDP1 (0.44) KMT2ATRPV1KDRALDH1A1
SCHEMBL3927552 0.78 KMT2A (0.45) KMT2ATRPV1KDRFLT1
SCHEMBL3924782 0.78 KDR (0.44) TRPV1KDRKDM4EALDH1A1PKM
SCHEMBL3924135 0.78 KMT2A (0.46) KMT2ATRPV1KDRFLT1
SCHEMBL1941788 0.76 KDR (0.56) KMT2AKDRKDM4EALDH1A1

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 KMT2A 2966/4885TRPV1 2238/4885KDR 12/4885

“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.