SCHEMBL13530954

SCHEMBL13530954

Oc1cc(NS)ccc1Nc1c2ccccc2nc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
MEN1 O00255 2/20 0.55
GAA P10253 1/20 0.55
POLB P06746 4/20 0.51
RAD52 P43351 4/20 0.51
GFER P55789 3/20 0.51
KDM1A O60341 10/20 0.50
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
RECQL P46063 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MITF O75030 1/20 0.46
TOP2A P11388 2/20 0.45
TOP2B Q02880 2/20 0.45
GLA P06280 2/20 0.45
SLC22A1 O15245 1/20 0.45

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
SCHEMBL13529523 0.80 TOP2B (0.71) KMT2AMEN1GAAPOLBRAD52
SCHEMBL13530937 0.80 KDM1A (0.70) KMT2AMEN1GAAPOLBRAD52
SCHEMBL17154467 0.79 KDM1A (0.58) KMT2AMEN1GAAPOLBRAD52
SCHEMBL4939495 0.78 MEN1 (0.67) KMT2AMEN1GAAPOLBRAD52
SCHEMBL4939506 0.72 KDM1A (0.75) KMT2AMEN1GAAPOLBRAD52
SCHEMBL23630584 0.70 KDM1A (0.78) KMT2AMEN1GAAPOLBRAD52
SCHEMBL20856475 0.70 KDM1A (0.60) KMT2AMEN1GAAPOLBRAD52
SCHEMBL14116117 0.69 KMT2A (0.97) KMT2AMEN1GAAPOLBRAD52
SCHEMBL1870594 0.69 KMT2A (0.63) KMT2AMEN1GAAPOLBRAD52
SCHEMBL902770 0.69 KDM1A (1.00) KMT2AMEN1POLBRAD52GFER

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-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 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-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN KMT2A 2630/4885MEN1 914/4885GAA 1006/4885

“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.