SCHEMBL13713486

SCHEMBL13713486

CCC(C)(C)C(=O)Nc1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.58
RAB9A P51151 6/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
LMNA P02545 2/20 0.54
TRPV1 Q8NER1 2/20 0.54
POLB P06746 1/20 0.54
PKM P14618 2/20 0.53
NAMPT P43490 1/20 0.52
TSHR P16473 1/20 0.52
HIF1A Q16665 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPK1 P28482 1/20 0.51
MAPT P10636 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CASP3 P42574 1/20 0.50

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
SCHEMBL14417064 0.84 RAB9A (0.54) NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL13651635 0.84 POLB (0.60) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL391683 0.83 RAB9A (0.78) NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL15293597 0.82 ALDH1A1 (0.58) POLBMAPTMEN1KMT2A
SCHEMBL13134415 0.80 MDM2 (0.52) RAB9ASMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL750651 0.80 RIPK1 (0.59) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL10031620 0.79 ABCC9 (0.56) SMN1; SMN2POLBNAMPTHIF1AMAPT
SCHEMBL14134918 0.78 POLB (0.54) RAB9ALMNAPOLBL3MBTL1MAPT
SCHEMBL27556272 0.78 NAMPT (0.61) NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL12226380 0.77 L3MBTL1 (0.61) LMNAPOLBTSHRL3MBTL1MAPT

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-7592349-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-09-22 US disclosed
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-06-12 US disclosed
US-20070225285-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-09-27 US disclosed
US-20070219206-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-09-20 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-20070225285-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 NPC1 3726/4885RAB9A 3493/4885SMN1; SMN2 4174/4885
US-20070219206-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 NPC1 3726/4885RAB9A 3493/4885SMN1; SMN2 4174/4885
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE NPC1 2326/4885RAB9A 1814/4885SMN1; SMN2 4559/4885

“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.