SCHEMBL4480468

SCHEMBL4480468

CCc1cccc(C(=O)N2CCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.61
NPC1 O15118 4/20 0.61
RAB9A P51151 4/20 0.61
TP53 P04637 3/20 0.61
RECQL P46063 1/20 0.61
KMT2A Q03164 5/20 0.60
ALDH1A1 P00352 4/20 0.60
MEN1 O00255 3/20 0.60
HPGD P15428 3/20 0.59
LMNA P02545 3/20 0.58
HTT P42858 2/20 0.58
TSHR P16473 3/20 0.54
MAPK1 P28482 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
RXFP1 Q9HBX9 1/20 0.52
GAA P10253 1/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
MGLL Q99685 1/20 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
SCHEMBL7901273 0.97 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9ATP53RECQL
SCHEMBL10174738 0.95 KMT2A (0.66) SMN1; SMN2NPC1RAB9ATP53RECQL
SCHEMBL4486004 0.95 KMT2A (0.66) SMN1; SMN2NPC1RAB9ATP53RECQL
SCHEMBL14234095 0.93 ALDH1A1 (0.62) SMN1; SMN2NPC1RAB9ATP53RECQL
SCHEMBL13438861 0.88 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ATP53RECQL
SCHEMBL13462844 0.86 PDE3B (0.53) SMN1; SMN2NPC1RAB9ATP53RECQL
SCHEMBL7901271 0.86 RAB9A (0.67) SMN1; SMN2NPC1RAB9ATP53RECQL
SCHEMBL12333479 0.86 MEN1 (0.61) SMN1; SMN2NPC1RAB9ATP53RECQL
SCHEMBL15986678 0.86 SIGMAR1 (0.59) SMN1; SMN2NPC1RAB9ATP53RECQL
SCHEMBL13462850 0.86 HPGD (0.53) SMN1; SMN2NPC1RAB9ATP53RECQL

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-20120309977-A1 PROCESS FOR PREPARING [(3-HYDROXYPYRIDINE-2-CARBONYL)AMINO]ALKANOIC ACIDS, ESTERS AND AMIDES AKEBIA THERAPEUTICS INC. (US) 2012-12-06 US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 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 (2 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-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK SMN1; SMN2 3820/4885NPC1 949/4885RAB9A 2487/4885
US-20120309977-A1 PROCESS FOR PREPARING [(3-HYDROXYPYRIDINE-2-CARBONYL)AMINO]ALKANOIC ACIDS, ESTERS AND AMIDES HPD, APEH, ALDH7A1 SMN1; SMN2 3805/4885NPC1 2528/4885RAB9A 2054/4885

“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.