SCHEMBL16653572

SCHEMBL16653572

O=c1ccccn1-c1ccc(OCCC(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.46
NPC1 O15118 1/20 0.44
MITF O75030 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KCNH2 Q12809 6/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MAPK14 Q16539 1/20 0.42

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
SCHEMBL16710172 0.85 GPR3 (0.42) MCHR1NPC1MITFLMNATP53
SCHEMBL16541557 0.80 MCHR1 (0.42) MCHR1KCNH2L3MBTL1
SCHEMBL10059454 0.76 MAPT (0.50) MCHR1NPC1LMNATP53RAB9A
SCHEMBL14408275 0.74 MCHR1 (0.62) MCHR1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL11062191 0.73 KCNA3 (0.58)
SCHEMBL2115832 0.71 F10 (0.59) NPC1LMNARAB9ASMN1; SMN2
SCHEMBL2538880 0.71 F10 (0.43) MCHR1SMN1; SMN2L3MBTL1
SCHEMBL6081954 0.70 MCHR1 (0.49) MCHR1SMN1; SMN2KCNH2MAPK14
SCHEMBL142777 0.68 F10 (0.44) LMNA
SCHEMBL17979325 0.68 MCHR1 (0.76) MCHR1KCNH2

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-9598372-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2017-03-21 US disclosed
US-20160115134-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2016-04-28 US disclosed
US-9115114-B2 Bromodomain inhibitors Quanticel Pharmaceuticals, Inc. (US) 2015-08-25 US disclosed
US-20150183784-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2015-07-02 US disclosed
US-9034900-B2 Bromodomain inhibitors Quanticel Pharmaceuticals, Inc. (US) 2015-05-19 US disclosed
US-20150111885-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2015-04-23 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-20150111885-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 MCHR1 4759/4885NPC1 2992/4885MITF 1930/4885
US-20150183784-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 MCHR1 4759/4885NPC1 2992/4885MITF 1930/4885
US-20160115134-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 MCHR1 4759/4885NPC1 2992/4885MITF 1930/4885

“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.