SCHEMBL13713005

SCHEMBL13713005

Cc1cccc(N(C)C(=O)C(C)(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.40
P2RX7 Q99572 1/20 0.38
POLB P06746 1/20 0.37
CCR1 P32246 1/20 0.36
CCR8 P51685 1/20 0.36
GRM5 P41594 2/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
GBA1 P04062 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.33
HTR1A P08908 1/20 0.33

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
SCHEMBL13606319 0.85 GRM5 (0.42) RAB9AP2RX7CCR1CCR8GRM5
SCHEMBL20909909 0.80 RAB9A (0.43) RAB9AP2RX7CCR1CCR8GRM5
SCHEMBL15174120 0.80 RAB9A (0.43) RAB9AP2RX7CCR1CCR8GRM5
SCHEMBL8234459 0.79 P2RX7 (0.38) RAB9AP2RX7CCR1CCR8GRM5
SCHEMBL852406 0.79 PAX8 (0.42) RAB9AP2RX7CCR1CCR8GRM5
SCHEMBL9665431 0.79 RAB9A (0.42) RAB9AP2RX7CCR1CCR8GRM5
SCHEMBL13713493 0.76 OPRM1 (0.43) RAB9AP2RX7POLBCCR1CCR8
SCHEMBL6482424 0.76 RAB9A (0.40) RAB9AP2RX7POLBCCR1CCR8
SCHEMBL231039 0.75 POLB (0.50) RAB9APOLBGRM5MEN1KMT2A
SCHEMBL23048359 0.75 NPC1 (0.47) RAB9AGRM5MEN1KMT2ASMN1; SMN2

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-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

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-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE RAB9A 1814/4885P2RX7 72/4885POLB 3963/4885

“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.