SCHEMBL19379635

SCHEMBL19379635

Cc1cc2ccccc2n(C(F)(F)F)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.42
▸ KDM4E B2RXH2 4/20 0.38
▸ KLK7 P49862 1/20 0.38
▸ BRD4 O60885 3/20 0.37
▸ BRPF1 P55201 2/20 0.37
▸ NQO2 P16083 1/20 0.36
▸ AHR P35869 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ KAT2B Q92831 1/20 0.35
▸ BRD9 Q9H8M2 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ GALK1 P51570 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
SCHEMBL6688670 0.77 AHR (0.45) DAOKDM4EBRD4AHRCA12
SCHEMBL715895 0.76 DAO (0.65) DAOKDM4EKLK7BRD4BRPF1
SCHEMBL31426215 0.76 DAO (0.65) DAOKDM4EKLK7BRD4BRPF1
SCHEMBL14159651 0.74 DAO (0.44) DAOKDM4EKLK7BRD4BRPF1
SCHEMBL7163743 0.74 KDM4E (0.52) DAOKDM4EKLK7BRD4BRPF1
SCHEMBL434663 0.73 KDM4E (0.50) DAOKDM4EBRPF1TP53CA12
SCHEMBL15241831 0.72 DAO (0.40) DAOKDM4EKLK7BRD4BRPF1
SCHEMBL18317487 0.71 SMN1; SMN2 (0.60) DAOKDM4EKLK7BRD4BRPF1
SCHEMBL15241820 0.71 SMN1; SMN2 (0.43) DAOKDM4EKLK7BRD4BRPF1
SCHEMBL28723434 0.71 ALDH1A1 (0.53) DAOKDM4EKLK7TP53NOTUM

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-20170273970-A1 Treatment and/or prophylaxis of TSPO mediated diseases and/or disorders Grünenthal GmbH (DE) 2017-09-28 — — 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-20170273970-A1 Treatment and/or prophylaxis of TSPO mediated diseases and/or disorders TSPO, TPMT, HLA-DRB1 DAO 728/4885KDM4E 4306/4885KLK7 3695/4885

“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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