SCHEMBL13754451

SCHEMBL13754451

COc1ccc(NC(=O)NC(C)C)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.72
SMN1; SMN2 Q16637 5/20 0.72
NPC1 O15118 5/20 0.72
PKM P14618 1/20 0.69
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
ANPEP P15144 1/20 0.62
MAPT P10636 2/20 0.60
KDM4E B2RXH2 1/20 0.60
SAE1 Q9UBE0 1/20 0.60
UBA2 Q9UBT2 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
HPGD P15428 1/20 0.60
CYP2C19 P33261 1/20 0.60
FPR2 P25090 3/20 0.59
TP53 P04637 3/20 0.58
ESR2 Q92731 1/20 0.58
NOX1 Q9Y5S8 1/20 0.58

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
Benzene SCHEMBL11582041 0.97 RAB9A (0.68) RAB9ASMN1; SMN2NPC1PKMMEN1
SCHEMBL13449739 0.87 CA12 (0.70) RAB9ASMN1; SMN2MEN1KMT2ACYP2C9
SCHEMBL11092496 0.85 RAB9A (1.00) RAB9ASMN1; SMN2NPC1PKMMEN1
SCHEMBL13754509 0.83 PKM (0.66) RAB9ASMN1; SMN2NPC1PKMMEN1
SCHEMBL3063854 0.83 PKM (0.66) RAB9ASMN1; SMN2NPC1PKMMEN1
SCHEMBL24590366 0.83 RAB9A (0.68) RAB9ASMN1; SMN2NPC1PKMMEN1
SCHEMBL12932742 0.82 KMT2A (0.64) RAB9ASMN1; SMN2NPC1PKMMEN1
SCHEMBL4687744 0.81 MAPK1 (0.61) RAB9ASMN1; SMN2NPC1PKMMEN1
SCHEMBL22104836 0.81 ALDH1A1 (0.78) RAB9ASMN1; SMN2NPC1PKMMEN1
SCHEMBL4118269 0.81 RAB9A (1.00) RAB9ASMN1; SMN2NPC1PKMMEN1

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
EP-4249480-A1 DIPHENYLPYRAZOLE COMPOUND, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Northwest A&F University (CN) 2023-09-27 EP disclosed
US-10028938-B2 Antiviral agents and uses thereof GRIFFITH UNIVERSITY (AU) 2018-07-24 US disclosed
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 US disclosed
US-20070010509-A1 Cycloamine ccr5 receptor antagonists TEIJIN PHARMA LIMITED (JP) 2007-01-11 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-20070010509-A1 Cycloamine ccr5 receptor antagonists CCR5, CCR2, CCR1 RAB9A 2412/4885SMN1; SMN2 4505/4885NPC1 550/4885
US-10028938-B2 Antiviral agents and uses thereof RNASE1, ENTPD5, ACE RAB9A 1505/4885SMN1; SMN2 3429/4885NPC1 1326/4885

“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.