SCHEMBL14802419

SCHEMBL14802419

COc1ccc(C(=O)Nc2cc(N)ccc2-c2ccc(C)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
AHR P35869 1/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
RXFP1 Q9HBX9 1/20 0.55
MAPT P10636 4/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 2/20 0.54
KDM4E B2RXH2 2/20 0.54
F10 P00742 2/20 0.52
HDAC2 Q92769 3/20 0.52
HDAC3 O15379 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52

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
SCHEMBL14802408 0.94 MAPT (0.58) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL14802389 0.81 SMN1; SMN2 (0.63) NPC1RAB9ALMNASMN1; SMN2AHR
SCHEMBL28863360 0.79 ALDH1A1 (0.62) NPC1RAB9ALMNASMN1; SMN2AHR
SCHEMBL3790093 0.79 ALDH1A1 (0.47) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL24791968 0.77 HDAC1 (0.60) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL8291293 0.77 HDAC2 (0.68) NPC1RAB9ALMNASMN1; SMN2AHR
SCHEMBL28587110 0.77 ALDH1A1 (0.74) NPC1RAB9ALMNASMN1; SMN2AHR
SCHEMBL14817822 0.77 NPC1 (0.58) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL14802407 0.75 MAPT (0.66) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL7244510 0.74 F10 (0.79) NPC1RAB9ALMNASMN1; SMN2AHR

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-9035057-B2 Dihydroethidine analogues and uses thereof WASHINGTON UNIVERSITY (US) 2015-05-19 US disclosed
US-20130079522-A1 DIHYDROETHIDINE ANALOGUES AND USES THEREOF WASHINGTON UNIVERSITY (US) 2013-03-28 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-20130079522-A1 DIHYDROETHIDINE ANALOGUES AND USES THEREOF NOX4, QDPR, ROS1 NPC1 1122/4885RAB9A 440/4885LMNA 3548/4885

“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.