SCHEMBL11895010

SCHEMBL11895010

COC(=O)c1cc(-c2ccco2)nc2ccc3nn(-c4cccc(C(F)(F)F)c4)nc3c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 13/20 0.49
▸ KDM4E B2RXH2 12/20 0.49
▸ HPGD P15428 9/20 0.49
▸ POLB P06746 8/20 0.49
▸ MEN1 O00255 6/20 0.49
▸ KMT2A Q03164 6/20 0.49
▸ HSD17B10 Q99714 4/20 0.49
▸ GAA P10253 2/20 0.49
▸ CASP1 P29466 2/20 0.49
▸ CASP7 P55210 2/20 0.49
▸ ESR2 Q92731 2/20 0.49
▸ ESR1 P03372 1/20 0.49
▸ MCL1 Q07820 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ MAPT P10636 5/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GLA P06280 1/20 0.39
▸ APAF1 O14727 1/20 0.39
▸ THRB P10828 1/20 0.39

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
SCHEMBL11894740 0.90 KDM4E (0.47) ALDH1A1KDM4EHPGDPOLBMEN1
SCHEMBL11894742 0.89 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDPOLBMEN1
SCHEMBL11894682 0.88 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDPOLBMEN1
SCHEMBL11895125 0.88 POLB (0.54) ALDH1A1KDM4EHPGDPOLBMEN1
SCHEMBL11894507 0.88 POLB (0.50) ALDH1A1KDM4EHPGDPOLBMEN1
SCHEMBL11895038 0.83 KDM4E (0.42) KDM4EMEN1KMT2AGAAMAPT
SCHEMBL11894702 0.78 KDM4E (0.54) ALDH1A1KDM4EHPGDPOLBMEN1
SCHEMBL11894698 0.78 KDM4E (0.49) ALDH1A1KDM4EHPGDPOLBMEN1
SCHEMBL11894892 0.77 KDM4E (0.57) ALDH1A1KDM4EHPGDPOLBMEN1
SCHEMBL11895159 0.77 MCL1 (0.49) ALDH1A1KDM4EHPGDPOLBMEN1

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
EP-2487175-A1 PHARMACEUTICAL PRODUCT CONTAINING AROMATIC HETEROCYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2012-08-15 — — EP disclosed
US-20120196854-A1 PHARMACEUTICAL COMPOSITION COMPRISING AROMATIC HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-08-02 — — 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-20120196854-A1 PHARMACEUTICAL COMPOSITION COMPRISING AROMATIC HETEROCYCLIC COMPOUND CYP2C18, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP2B6 ALDH1A1 2046/4885KDM4E 2321/4885HPGD 1576/4885

“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.

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