SCHEMBL784626

SCHEMBL784626

CN(C(=O)c1ccc2c(c1)C(NC(=O)c1cnccc1C(F)(F)F)CC2(C)C)C1CCN(c2ccncc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.36
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
SMO Q99835 2/20 0.35
F10 P00742 3/20 0.35
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 1/20 0.35
PDK2 Q15119 1/20 0.35
TP53 P04637 2/20 0.33
MDM2 Q00987 2/20 0.33
ROCK2 O75116 2/20 0.33
NPY5R Q15761 1/20 0.33
RIPK1 Q13546 2/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33

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
SCHEMBL784439 0.88 SLC6A9 (0.40) SMOF10PDK2ROCK2
SCHEMBL784755 0.88 WDR5 (0.40) RBP4NPC1POLBSMOF10
SCHEMBL785733 0.88 WDR5 (0.40) RBP4NPC1POLBSMOF10
SCHEMBL785316 0.86 CTSS (0.42) RBP4NPC1POLBSMOALDH1A1
SCHEMBL785855 0.86 JAK2 (0.40) SMOPDK2JAK2JAK1
SCHEMBL784362 0.86 ALDH1A1 (0.38) NPC1POLBF10ALDH1A1ALOX15
SCHEMBL784148 0.85 RORC (0.41) F10PDK2ROCK2
SCHEMBL784276 0.85 F10 (0.39) F10ALDH1A1ALOX15NPY5R
SCHEMBL785791 0.85 ALDH1A1 (0.41) POLBF10ALDH1A1ALOX15PDK2
SCHEMBL785130 0.85 RBP4 (0.37) RBP4NPC1POLBSMOF10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 RBP4 1548/4885NPC1 2033/4885POLB 3355/4885

“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.