SCHEMBL10357964

SCHEMBL10357964

Oc1ccc(F)cc1-c1cc(-c2ccccc2)n[nH]1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.76
KMT2A Q03164 11/20 0.76
NPC1 O15118 11/20 0.76
ALOX15 P16050 10/20 0.70
MAPT P10636 9/20 0.70
NPSR1 Q6W5P4 6/20 0.70
HPGD P15428 5/20 0.70
LMNA P02545 5/20 0.70
MAPK1 P28482 4/20 0.70
KDM4E B2RXH2 3/20 0.70
TP53 P04637 2/20 0.70
GLA P06280 1/20 0.70
SMN1; SMN2 Q16637 7/20 0.68
NFKB1 P19838 5/20 0.68
NFKB2 Q00653 5/20 0.68
RELA Q04206 5/20 0.68
ALOX12 P18054 3/20 0.68
HSP90AA1 P07900 1/20 0.66
RAB9A P51151 11/20 0.64
USP2 O75604 2/20 0.64

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
SCHEMBL22415617 0.87 MAPT (0.64) MEN1KMT2ANPC1ALOX15MAPT
SCHEMBL10357791 0.87 MEN1 (1.00) MEN1KMT2ANPC1ALOX15MAPT
SCHEMBL10357612 0.84 MAPT (0.67) MEN1KMT2ANPC1ALOX15MAPT
SCHEMBL22415615 0.83 MAPT (0.59) MEN1KMT2ANPC1ALOX15MAPT
SCHEMBL1528352 0.83 ALOX15 (1.00) MEN1KMT2ANPC1ALOX15MAPT
SCHEMBL1528282 0.82 MAPT (1.00) MEN1KMT2ANPC1ALOX15MAPT
SCHEMBL9911652 0.82 RAB9A (0.74) MEN1KMT2ANPC1ALOX15MAPT
SCHEMBL9911653 0.82 KMT2A (1.00) MEN1KMT2ANPC1ALOX15MAPT
SCHEMBL13952330 0.82 ALOX15 (0.70) MEN1KMT2ANPC1ALOX15MAPT
SCHEMBL10357576 0.82 KMT2A (0.65) MEN1KMT2ANPC1ALOX15MAPT

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 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

“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.