SCHEMBL19968134

SCHEMBL19968134

c1ccc(-n2ncc3c(-c4cccc5c(-n6ncc7ccccc76)cccc45)cccc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 7/20 0.57
▸ CYP1A2 P05177 7/20 0.57
▸ KDM4E B2RXH2 1/20 0.42
▸ SCN9A Q15858 1/20 0.38
▸ CYP11B1 P15538 2/20 0.38
▸ CYP11B2 P19099 2/20 0.38
▸ MGAM O43451 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ SI P14410 1/20 0.38
▸ MGAM2 Q2M2H8 1/20 0.38
▸ KHK P50053 1/20 0.37
▸ SLC2A1 P11166 1/20 0.37
▸ SLC2A2 P11168 1/20 0.37
▸ SLC2A3 P11169 1/20 0.37
▸ PLA2G10 O15496 1/20 0.36
▸ NR3C1 P04150 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL2188830 0.79 CYP11B1 (0.48) CYP1A2KDM4ESCN9ACYP11B1CYP11B2
SCHEMBL729956 0.79 KDM4E (0.56) CYP17A1CYP1A2KDM4ECYP11B1CYP11B2
SCHEMBL30270004 0.79 KDM4E (0.56) CYP17A1CYP1A2KDM4ECYP11B1CYP11B2
Hydrochloric Acid SCHEMBL3379409 0.77 KDM4E (0.55) CYP17A1CYP1A2KDM4ECYP11B1CYP11B2
SCHEMBL26970884 0.76 CYP1A2 (0.61) CYP17A1CYP1A2KDM4ESCN9ANPC1
SCHEMBL30716966 0.76 CYP1A2 (0.61) CYP17A1CYP1A2KDM4ESCN9ANPC1
SCHEMBL24179211 0.71 ALDH1A1 (0.36) CYP17A1CYP1A2KDM4ECYP11B1CYP11B2
SCHEMBL15797015 0.70 CYP1A2 (0.54) CYP17A1CYP1A2KDM4ENPC1LMNA
SCHEMBL23843785 0.70 NR3C1 (0.54) KDM4ECYP11B1CYP11B2MGAMGAA
SCHEMBL23840290 0.70 PDE10A (0.45) CYP1A2KDM4ECYP11B1CYP11B2MGAM

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-20180072753-A1 NOVEL ORGANIC HETEROCYCLIC COMPOUND AND LIGHT-EMITTING DEVICE COMPRISING SAME SFC CO., LTD. (KR) 2018-03-15 — — 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-20180072753-A1 NOVEL ORGANIC HETEROCYCLIC COMPOUND AND LIGHT-EMITTING DEVICE COMPRISING SAME OR10J3, CRY1, NR2E3 CYP17A1 1607/4885CYP1A2 78/4885KDM4E 1697/4885

“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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