SCHEMBL11894712

SCHEMBL11894712

Cn1cccc1-c1cc(C(=O)O)c2c(ccc3nn(-c4ccccc4)nc32)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ ALOX15 P16050 2/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ KMT2A Q03164 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ ALDH1A1 P00352 6/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ NPC1 O15118 4/20 0.35
▸ RAB9A P51151 4/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PTGES O14684 1/20 0.35

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
SCHEMBL11894811 0.90 TDP1 (0.40) KDM4EPARP1ALOX15KMT2AMEN1
SCHEMBL11894887 0.78 PARP1 (0.43) KDM4EPARP1CYP19A1KMT2AMEN1
SCHEMBL11894892 0.77 KDM4E (0.57) KDM4EALOX15KMT2AMEN1ALDH1A1
SCHEMBL11894579 0.75 PDE11A (0.42) KDM4EPARP1KMT2AMEN1ALDH1A1
SCHEMBL11895208 0.75 ALDH1A1 (0.48) KDM4ECYP19A1KMT2AALDH1A1HSD17B10
SCHEMBL11895101 0.75 HSP90AA1 (0.45) KDM4EPARP1ALOX15KMT2AMEN1
SCHEMBL11894690 0.74 PARP1 (0.43) KDM4EPARP1CYP19A1KMT2AMEN1
SCHEMBL11895186 0.73 PHGDH (0.41) KDM4ECYP19A1KMT2AALDH1A1HSD17B10
SCHEMBL11894666 0.73 MYC (0.43) KDM4EPARP1CYP19A1KMT2AMEN1
SCHEMBL11895065 0.73 PARP1 (0.36) KDM4EPARP1ALOX15CYP19A1KMT2A

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 2321/4885PARP1 3986/4885ALOX15 706/4885

“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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