SCHEMBL20438074

SCHEMBL20438074

[N-]=[N+]=NCc1cc(=O)c2ccccc2o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.54
▸ CYP11B1 P15538 2/20 0.50
▸ CYP11B2 P19099 2/20 0.50
▸ ABCG2 Q9UNQ0 6/20 0.48
▸ SIGMAR1 Q99720 2/20 0.47
▸ TNKS O95271 3/20 0.44
▸ PARP1 P09874 3/20 0.44
▸ TNKS2 Q9H2K2 3/20 0.44
▸ ABCB1 P08183 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ CYP1B1 Q16678 2/20 0.44
▸ GABRP O00591 2/20 0.44
▸ GABRD O14764 2/20 0.44
▸ GABRA1 P14867 2/20 0.44
▸ GABRB1 P18505 2/20 0.44
▸ GABRG2 P18507 2/20 0.44
▸ GABRB3 P28472 2/20 0.44
▸ GABRA5 P31644 2/20 0.44
▸ GABRA3 P34903 2/20 0.44
▸ GABRA2 P47869 2/20 0.44

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
SCHEMBL18397848 0.81 GABRP (0.46) ABCG2GABRPGABRDGABRA1GABRB1
SCHEMBL18397890 0.81 ABCG2 (0.41) PPARGCYP11B1CYP11B2ABCG2TNKS
SCHEMBL18397898 0.78 PPARG (0.57) PPARGCYP11B1ABCG2ABCB1NPC1
SCHEMBL18397910 0.78 PPARG (0.57) PPARGCYP11B1CYP11B2ABCG2TNKS
SCHEMBL18397797 0.77 LOXL2 (0.60) PPARGABCG2CYP1B1CYP3A4HPGD
SCHEMBL18397892 0.74 MMP12 (0.38) PPARGCYP11B1CYP11B2ABCG2KDM4E
SCHEMBL18397855 0.74 ABCG2 (0.37) CYP11B1CYP11B2ABCG2KDM4EALDH1A1
SCHEMBL3395103 0.74 PPARG (0.63) PPARGCYP11B1CYP11B2ABCG2SIGMAR1
SCHEMBL5695477 0.74 PPARG (0.63) PPARGCYP11B1CYP11B2ABCG2SIGMAR1
SCHEMBL9471231 0.74 PPARG (0.63) PPARGCYP11B1CYP11B2ABCG2SIGMAR1

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
US-20180215727-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2018-08-02 — — US disclosed
US-20180215727-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2018-08-02 — — 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-20180215727-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX PPARG 2000/4885CYP11B1 1314/4885CYP11B2 686/4885

“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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