SCHEMBL7570428

SCHEMBL7570428

CC1(C)NC(=N)N(Cc2ccc(CNC(=O)Cc3cc(F)cc(F)c3)cc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 2/20 0.41
AR P10275 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
SRC P12931 1/20 0.38
TP53 P04637 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL8204929 0.85 RAB9A (0.44) KMT2ALMNAALDH1A1RAB9AAR
SCHEMBL7564048 0.80 RAB9A (0.56) KMT2ALMNAALDH1A1RAB9AMEN1
SCHEMBL7560119 0.78 RAB9A (0.51) KMT2ALMNARAB9ANPC1SMN1; SMN2
SCHEMBL7515033 0.77 TRPV1 (0.42) KMT2AALDH1A1RAB9ATRPV1TP53
SCHEMBL7516359 0.76 KMT2A (0.43) KMT2ALMNAALDH1A1RAB9ATP53
SCHEMBL7525019 0.74 TSHR (0.40) SMN1; SMN2
SCHEMBL7548760 0.74 RAB9A (0.57) KMT2ARAB9AMEN1NPC1
SCHEMBL7523668 0.73 BACE1 (0.47) KMT2AALDH1A1USP2SMN1; SMN2
SCHEMBL13558987 0.73 NPC1 (0.46) KMT2AALDH1A1RAB9ATRPV1TP53
SCHEMBL7575087 0.73 MTOR (0.58) KMT2ALMNAALDH1A1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 US disclosed
US-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 KMT2A 4458/4885LMNA 2420/4885ALDH1A1 4505/4885

“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.