SCHEMBL11894745

SCHEMBL11894745

COC(=O)c1cc(Cl)nc2ccc3nn(-c4ccccc4)nc3c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.55
▸ ALDH1A1 P00352 9/20 0.46
▸ SMN1; SMN2 Q16637 8/20 0.46
▸ NPC1 O15118 7/20 0.46
▸ RAB9A P51151 6/20 0.46
▸ HPGD P15428 5/20 0.46
▸ TP53 P04637 3/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MAPT P10636 6/20 0.44
▸ PARP1 P09874 1/20 0.43
▸ MITF O75030 1/20 0.43
▸ KLF5 Q13887 1/20 0.43
▸ CASP3 P42574 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ POLB P06746 1/20 0.41

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
SCHEMBL11895340 0.91 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL11894930 0.89 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL11894766 0.88 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL11894876 0.87 PARP1 (0.48) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL11895038 0.86 KDM4E (0.42) KDM4ESMN1; SMN2TP53KMT2AMAPT
SCHEMBL11895026 0.81 TACR3 (0.46) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL11894811 0.80 TDP1 (0.40) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL11894507 0.80 POLB (0.50) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL11894653 0.77 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2267398 0.76 PARP1 (0.68) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2046/4885SMN1; SMN2 4259/4885

“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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