SCHEMBL13044623

SCHEMBL13044623

O=C(Nc1ccc(C(F)(F)F)cc1)C(=O)c1c[nH]c2ccccc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.73
NPC1 O15118 5/20 0.73
MEN1 O00255 2/20 0.73
KMT2A Q03164 2/20 0.73
CASP3 P42574 1/20 0.70
SENP7 Q9BQF6 1/20 0.70
IGF1R P08069 2/20 0.70
MET P08581 2/20 0.70
SRC P12931 2/20 0.70
STING1 Q86WV6 1/20 0.64
GOT1 P17174 1/20 0.57
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
GAA P10253 1/20 0.54
ALDH1A1 P00352 1/20 0.53
MAPK1 P28482 1/20 0.52
GABRP O00591 1/20 0.52
GABRD O14764 1/20 0.52
GABRA1 P14867 1/20 0.52
GABRB1 P18505 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
SCHEMBL11921543 0.87 RAB9A (0.74) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL11924472 0.86 RAB9A (0.68) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL8487489 0.85 RAB9A (0.79) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL11903794 0.85 RAB9A (1.00) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL32319858 0.85 RAB9A (1.00) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL11924589 0.84 RAB9A (0.81) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL11921553 0.83 RAB9A (0.60) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL23168017 0.83 STING1 (0.81) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL11924468 0.83 RAB9A (0.79) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL11924527 0.83 RAB9A (0.79) RAB9ANPC1MEN1KMT2ACASP3

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-20140155626-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-05 US disclosed
WO-2010139982-A1 INDOLE DERIVATIVES FOR THE STIMULATION OF STEM CELL PROLIFERATION THE UNIVERSITY OF SHEFFIELD (GB) 2010-12-09 WO 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-20140155626-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 RAB9A 2302/4885NPC1 29/4885MEN1 4698/4885

“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.