SCHEMBL744864

SCHEMBL744864

COc1ccc(C(O)(C(=O)NCc2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.59
ALDH1A1 P00352 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
ALOX12 P18054 1/20 0.56
CYP2C19 P33261 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
RAB9A P51151 3/20 0.56
TSHR P16473 1/20 0.56
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
EPHX2 P34913 1/20 0.53
NR1H4 Q96RI1 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
VNN1 O95497 1/20 0.52
MAOB P27338 1/20 0.51
PLA2G1B P04054 1/20 0.51
ATG4B Q9Y4P1 1/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL10690147 0.94 NPC1 (0.59) NPC1ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL28014053 0.84 NPC1 (0.54) NPC1ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL13569360 0.81 NPC1 (0.61) NPC1ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL10691686 0.81 FPR2 (0.60) NPC1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL2918147 0.79 NPC1 (0.83) NPC1ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL16562080 0.79 NPC1 (0.77) NPC1ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL2526264 0.76 NPC1 (0.83) NPC1ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL10693154 0.76 NPC1 (0.54) NPC1ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL14254916 0.75 NPC1 (0.61) NPC1ALDH1A1NPSR1RAB9AMEN1
SCHEMBL28711201 0.75 KMT2A (0.60) NPC1ALDH1A1RAB9AMEN1KMT2A

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-8138356-B2 Chemical inhibitors of inhibitors of differentiation Angiogeney, Inc. (US) 2012-03-20 US disclosed
US-20090226422-A1 Chemical Inhibitors of Inhibitors of Differentiation ANGIOGENEX 2009-09-10 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-20090226422-A1 Chemical Inhibitors of Inhibitors of Differentiation BRAF, MAPK1, RAF1 NPC1 2638/4885ALDH1A1 1860/4885CYP1A2 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.