SCHEMBL11894878

SCHEMBL11894878

Cc1c(-c2cc(C(=O)O)c3c(ccc4nn(-c5cccc(F)c5)nc43)n2)cnn1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ NOTUM Q6P988 1/20 0.39
▸ HPD P32754 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ DHODH Q02127 3/20 0.34
▸ POLB P06746 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ APOBEC3A P31941 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ TP53 P04637 3/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ RXFP1 Q9HBX9 3/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HPGD P15428 1/20 0.32

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
SCHEMBL11894864 0.91 ALDH1A1 (0.44) KDM4EALDH1A1HPDNPC1RAB9A
SCHEMBL11894686 0.85 KDM4E (0.41) KDM4EALDH1A1NOTUMDHODHPOLB
SCHEMBL11894579 0.84 PDE11A (0.42) KDM4EALDH1A1NOTUMDHODHGAA
SCHEMBL11894978 0.83 NOTUM (0.38) KDM4EALDH1A1NOTUMDHODHPOLB
SCHEMBL11894643 0.81 MEN1 (0.37) ALDH1A1NOTUMHPDDHODHGAA
SCHEMBL11894650 0.81 DHODH (0.41) ALDH1A1DHODHPOLBMAPTPARP1
SCHEMBL11894960 0.80 DHODH (0.45) KDM4EALDH1A1DHODHGAAMAPT
SCHEMBL11894630 0.79 GAA (0.55) KDM4EALDH1A1NPC1DHODHGAA
SCHEMBL11894744 0.79 DHODH (0.40) KDM4EALDH1A1NOTUMHPDDHODH
SCHEMBL11894698 0.78 KDM4E (0.49) KDM4EALDH1A1POLBGAAMAPT

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 KDM4E 2321/4885ALDH1A1 2046/4885NOTUM 1221/4885

“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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