SCHEMBL11894978

SCHEMBL11894978

Cc1occc1-c1cc(C(=O)O)c2c(ccc3nn(-c4cccc(F)c4)nc32)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ MAPT P10636 3/20 0.37
▸ POLB P06746 2/20 0.37
▸ RECQL P46063 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ HPGD P15428 2/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ DHODH Q02127 4/20 0.34
▸ LMNA P02545 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ CFTR P13569 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.33
▸ GAA P10253 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
SCHEMBL11895146 0.90 PLA2G2A (0.36) ALDH1A1KDM4EMAPTPOLBHSD17B10
SCHEMBL11894698 0.84 KDM4E (0.49) ALDH1A1KDM4EMAPTPOLBRECQL
SCHEMBL11894686 0.84 KDM4E (0.41) NOTUMALDH1A1KDM4EMAPTPOLB
SCHEMBL11894878 0.83 KDM4E (0.53) NOTUMALDH1A1KDM4EMAPTPOLB
SCHEMBL11895039 0.81 DHODH (0.40) NOTUMALDH1A1MEN1KMT2ADHODH
SCHEMBL11894579 0.81 PDE11A (0.42) NOTUMALDH1A1KDM4EMEN1KMT2A
SCHEMBL11894630 0.80 GAA (0.55) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL11894643 0.79 MEN1 (0.37) NOTUMALDH1A1MAPTMEN1KMT2A
SCHEMBL11894650 0.79 DHODH (0.41) ALDH1A1MAPTPOLBHSD17B10TDP1
SCHEMBL11894960 0.79 DHODH (0.45) ALDH1A1KDM4EMAPTMEN1KMT2A

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

“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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