SCHEMBL3589281

SCHEMBL3589281

Oc1ccc(F)cc1-c1cc(-c2ccccc2C(F)(F)F)[nH]n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.56
KMT2A Q03164 9/20 0.56
NPC1 O15118 4/20 0.56
MAPT P10636 12/20 0.55
SMN1; SMN2 Q16637 9/20 0.55
HPGD P15428 9/20 0.55
NPSR1 Q6W5P4 4/20 0.55
POLB P06746 1/20 0.55
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
ALOX15 P16050 10/20 0.54
NFKB1 P19838 4/20 0.54
NFKB2 Q00653 4/20 0.54
RELA Q04206 4/20 0.54
MAPK1 P28482 4/20 0.54
ALOX12 P18054 3/20 0.54
TP53 P04637 2/20 0.54
LMNA P02545 1/20 0.54

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
SCHEMBL6333828 0.88 KMT2A (0.52) MEN1KMT2ANPC1MAPTSMN1; SMN2
SCHEMBL22415523 0.84 MAPT (0.76) MEN1KMT2ANPC1MAPTSMN1; SMN2
SCHEMBL10357577 0.82 MEN1 (0.53) MEN1KMT2ANPC1MAPTSMN1; SMN2
SCHEMBL22415617 0.82 MAPT (0.64) MEN1KMT2ANPC1MAPTSMN1; SMN2
SCHEMBL22415345 0.82 MAPT (0.64) MEN1KMT2ANPC1MAPTSMN1; SMN2
SCHEMBL22415570 0.82 MAPT (0.76) MEN1KMT2ANPC1MAPTSMN1; SMN2
SCHEMBL10357883 0.82 MAPT (0.76) MEN1KMT2ANPC1MAPTSMN1; SMN2
SCHEMBL6333830 0.81 KMT2A (0.53) MEN1KMT2ANPC1MAPTSMN1; SMN2
SCHEMBL10357612 0.81 MAPT (0.67) MEN1KMT2ANPC1MAPTSMN1; SMN2
SCHEMBL10376281 0.81 MAPT (0.67) MEN1KMT2ANPC1MAPTSMN1; 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 8 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
US-20100144798-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-10 US disclosed
EP-1601657-A1 PYRAZOLE MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2005-12-07 EP disclosed
US-20050113423-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2005-05-26 US disclosed
WO-2004080972-A1 PIRAZOLE MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-09-23 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 (3 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 MEN1 4723/4885KMT2A 4334/4885NPC1 30/4885
US-20100144798-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 MEN1 4723/4885KMT2A 4334/4885NPC1 30/4885
US-20050113423-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 MEN1 4723/4885KMT2A 4334/4885NPC1 30/4885

“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.