SCHEMBL10357366

SCHEMBL10357366

CC(=O)Nc1cccc(-c2cc(-c3cc(C)ccc3O)[nH]n2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.65
NPC1 O15118 9/20 0.65
MAPT P10636 7/20 0.65
ALOX15 P16050 5/20 0.65
HPGD P15428 4/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
NPSR1 Q6W5P4 3/20 0.65
HSP90AA1 P07900 2/20 0.65
PRKD1 Q15139 1/20 0.57
KMT2A Q03164 8/20 0.56
MEN1 O00255 7/20 0.56
RAF1 P04049 4/20 0.56
CASP3 P42574 3/20 0.55
SENP8 Q96LD8 3/20 0.55
SENP7 Q9BQF6 3/20 0.55
SENP6 Q9GZR1 3/20 0.55
NFKB1 P19838 2/20 0.55
NFKB2 Q00653 2/20 0.55
RELA Q04206 2/20 0.55
LMNA P02545 2/20 0.55

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
SCHEMBL17279957 0.82 PRKD1 (0.67) RAB9ANPC1MAPTSMN1; SMN2PRKD1
SCHEMBL25438397 0.81 PRKD1 (0.69) RAB9ANPC1MAPTSMN1; SMN2PRKD1
SCHEMBL9911652 0.79 RAB9A (0.74) RAB9ANPC1MAPTALOX15HPGD
SCHEMBL28664306 0.78 FYN (0.56) RAB9ANPC1MAPTSMN1; SMN2PRKD1
SCHEMBL1528519 0.78 FYN (0.55) RAB9ANPC1MAPTALOX15SMN1; SMN2
SCHEMBL10357497 0.78 KMT2A (0.82) RAB9ANPC1MAPTALOX15HPGD
SCHEMBL17279945 0.77 PRKD1 (0.64) RAB9ANPC1MAPTHPGDSMN1; SMN2
SCHEMBL10358361 0.77 MEN1 (0.77) RAB9ANPC1MAPTALOX15HPGD
SCHEMBL10358566 0.76 KMT2A (0.76) RAB9ANPC1MAPTALOX15HPGD
SCHEMBL10358281 0.76 MAPT (0.66) RAB9ANPC1MAPTALOX15HPGD

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
US-20120184583-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-19 US disclosed
US-20120184583-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-19 US disclosed
US-20100144798-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-10 US disclosed
US-20100144798-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-10 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-20120184583-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 RAB9A 2303/4885NPC1 30/4885MAPT 4385/4885
US-20100144798-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 RAB9A 2303/4885NPC1 30/4885MAPT 4385/4885

“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.