SCHEMBL15836637

SCHEMBL15836637

CCc1cc2c(CN3CCN(Cc4ccccc4)CC3)cc(=O)oc2cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 1.00
MEN1 O00255 9/20 1.00
ALDH1A1 P00352 7/20 0.78
HPGD P15428 4/20 0.78
CASP1 P29466 3/20 0.78
CASP7 P55210 3/20 0.78
HSD17B10 Q99714 3/20 0.78
KDM4E B2RXH2 3/20 0.78
POLB P06746 3/20 0.78
GLA P06280 2/20 0.78
GAA P10253 2/20 0.78
SMN1; SMN2 Q16637 1/20 0.78
TSHR P16473 1/20 0.66
MAPT P10636 1/20 0.60
CA12 O43570 1/20 0.60
CA9 Q16790 1/20 0.60

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
SCHEMBL15836702 0.88 KMT2A (0.79) KMT2AMEN1ALDH1A1HPGDCASP1
SCHEMBL15477297 0.88 KMT2A (0.77) KMT2AMEN1ALDH1A1HPGDCASP1
SCHEMBL15836708 0.87 KMT2A (0.77) KMT2AMEN1ALDH1A1HPGDCASP1
SCHEMBL12473143 0.85 USP2 (0.74) KMT2AMEN1ALDH1A1HPGDCASP1
SCHEMBL15836636 0.81 KMT2A (0.72) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL15836700 0.80 GAA (0.75) KMT2AMEN1ALDH1A1HPGDCASP1
SCHEMBL466909 0.78 CA12 (0.83) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL15836707 0.74 USP2 (0.71) KMT2AMEN1ALDH1A1HPGDCASP1
Folescutol SCHEMBL554577 0.74 TDP1 (0.81) KMT2AMEN1ALDH1A1HPGDCASP1
SCHEMBL12473499 0.73 KMT2A (1.00) KMT2AMEN1ALDH1A1HPGDPOLB

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-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2014-06-26 US disclosed
US-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2014-06-26 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-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 KMT2A 3667/4885MEN1 3121/4885ALDH1A1 4348/4885

“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.