SCHEMBL2239640

SCHEMBL2239640

COCCCCN1C(=O)C(C)(COC)Oc2ccc(C(=O)N(C(C)C)[C@@H]3CCCN(C(=O)O)C3)cc21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 7/20 0.36
HPGD P15428 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
REN P00797 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 4/20 0.35
GAA P10253 2/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.34
USP2 O75604 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL2242008 0.95 POLB (0.37) KMT2APOLBALDH1A1HPGDNPSR1
SCHEMBL2239538 0.94 KMT2A (0.39) KMT2APOLBALDH1A1HPGDNPSR1
SCHEMBL3487258 0.92 KMT2A (0.47) KMT2APOLBALDH1A1HPGDNPSR1
SCHEMBL2242223 0.90 KMT2A (0.48) KMT2APOLBALDH1A1HPGDNPSR1
SCHEMBL12353526 0.90 ALDH1A1 (0.41) KMT2APOLBALDH1A1HPGDNPSR1
SCHEMBL2239749 0.90 REN (0.32) KMT2APOLBRENCYP2D6CYP2C9
SCHEMBL2243816 0.89 KMT2A (0.38) KMT2APOLBALDH1A1HPGDNPSR1
SCHEMBL2243676 0.88 ALDH1A1 (0.37) KMT2APOLBALDH1A1HPGDNPSR1
SCHEMBL2241992 0.88 REN (0.32) RENCYP2D6CYP2C9
SCHEMBL2241700 0.87 ALDH1A1 (0.40) KMT2APOLBALDH1A1HPGDNPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
EP-2243779-A1 BICYCLIC HETEROCYCLIC DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-10-27 EP 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-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 KMT2A 1812/4885POLB 805/4885ALDH1A1 288/4885

“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.