SCHEMBL10357541

SCHEMBL10357541

COc1ccc(O)c(-c2cc(-c3ccccc3C)n[nH]2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 15/20 0.72
MEN1 O00255 14/20 0.72
ALOX15 P16050 10/20 0.72
RAB9A P51151 13/20 0.70
MAPT P10636 11/20 0.70
NPC1 O15118 10/20 0.70
HPGD P15428 8/20 0.70
SMN1; SMN2 Q16637 8/20 0.70
LMNA P02545 4/20 0.70
KDM4E B2RXH2 4/20 0.70
GAA P10253 4/20 0.70
NPSR1 Q6W5P4 3/20 0.70
NFKB1 P19838 5/20 0.67
NFKB2 Q00653 5/20 0.67
RELA Q04206 5/20 0.67
USP2 O75604 4/20 0.67
ALOX12 P18054 3/20 0.67
TSHR P16473 2/20 0.67
GFER P55789 1/20 0.65
CASP3 P42574 4/20 0.62

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
SCHEMBL10357379 0.95 KMT2A (0.76) KMT2AMEN1ALOX15RAB9AMAPT
SCHEMBL10357347 0.87 KMT2A (0.72) KMT2AMEN1ALOX15RAB9AMAPT
SCHEMBL17943357 0.85 RAB9A (0.59) KMT2AMEN1ALOX15RAB9AMAPT
SCHEMBL10357282 0.84 KMT2A (0.89) KMT2AMEN1ALOX15RAB9AMAPT
SCHEMBL10357437 0.84 KMT2A (1.00) KMT2AMEN1ALOX15RAB9AMAPT
SCHEMBL10367183 0.83 KMT2A (0.66) KMT2AMEN1ALOX15RAB9AMAPT
SCHEMBL10357792 0.82 KMT2A (0.71) KMT2AMEN1ALOX15RAB9AMAPT
SCHEMBL10357589 0.81 SMN1; SMN2 (1.00) KMT2AMEN1ALOX15RAB9AMAPT
SCHEMBL10357534 0.80 KMT2A (0.80) KMT2AMEN1ALOX15RAB9AMAPT
SCHEMBL12692365 0.80 MEN1 (1.00) KMT2AMEN1ALOX15RAB9AMAPT

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 1 patent. 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

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-20120184583-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4334/4885MEN1 4723/4885ALOX15 3215/4885

“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.