SCHEMBL13245137

SCHEMBL13245137

COC(=O)c1n[nH]c2ccc(C(C)(C)C)cc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.60
STAT3 P40763 1/20 0.60
HIF1A Q16665 1/20 0.60
KIF11 P52732 1/20 0.50
NAMPT P43490 1/20 0.49
CDC7 O00311 1/20 0.46
FLT3 P36888 2/20 0.45
GABRA1 P14867 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
GABRA4 P48169 1/20 0.45
GABRA6 Q16445 1/20 0.45
PRKAG1 P54619 2/20 0.45
PRKAA1 Q13131 2/20 0.45
PRKAB1 Q9Y478 2/20 0.45
F2 P00734 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL11911440 0.89 PRKAA1 (0.56) KDM4ESTAT3HIF1AKIF11NAMPT
SCHEMBL11916132 0.89 KDM4E (0.60) KDM4ESTAT3HIF1AKIF11NAMPT
SCHEMBL27956758 0.87 KDM4E (0.58) KDM4ESTAT3HIF1AKIF11NAMPT
SCHEMBL27992673 0.87 GABRA1 (0.56) KDM4ESTAT3HIF1AKIF11NAMPT
SCHEMBL2054572 0.84 PRKAG1 (0.55) KIF11GABRA1GABRG2GABRB3GABRA5
SCHEMBL1141712 0.82 PRKAA1 (0.54) KDM4ESTAT3HIF1ANAMPTCDC7
Hydrochloric Acid SCHEMBL1141705 0.81 PRKAA1 (0.53) KDM4ESTAT3HIF1ANAMPTCDC7
SCHEMBL4793050 0.81 KDM4E (0.65) KDM4ESTAT3HIF1ANAMPTCDC7
SCHEMBL173308 0.81 KDM4E (0.65) KDM4ESTAT3HIF1ANAMPTCDC7
SCHEMBL4291226 0.79 KDM4E (0.63) KDM4ESTAT3HIF1ANAMPTCDC7

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-8367709-B2 Dipeptide analogs as coagulation factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-05 US disclosed
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-08 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-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS F11, TFPI, SERPINC1 KDM4E 1645/4885STAT3 2662/4885HIF1A 3046/4885

“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.