SCHEMBL15730490

SCHEMBL15730490

COc1ccc(OCCN(C)C)c(Br)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 2/20 0.60
▸ CYP1A2 P05177 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ PTPN1 P18031 1/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MTNR1A P48039 1/20 0.46
▸ MTNR1B P49286 1/20 0.46
▸ HRH3 Q9Y5N1 2/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ THRA P10827 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ TDP1 Q9NUW8 2/20 0.44
▸ UTS2R Q9UKP6 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ RAB9A P51151 1/20 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
SCHEMBL16119617 0.87 HTR7 (0.51) HTR7CYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL31456048 0.81 MTNR1A (0.48) CYP1A2CYP2D6CYP2C19KDM4EALDH1A1
SCHEMBL2497117 0.81 L3MBTL1 (0.51) CYP1A2CYP2D6CYP2C19KDM4EALDH1A1
SCHEMBL3720086 0.81 L3MBTL1 (0.47) CYP1A2CYP2D6CYP2C19KDM4EALDH1A1
SCHEMBL14448836 0.80 KDM4E (0.51) HTR7PTPN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL5722672 0.79 L3MBTL1 (0.46) CYP1A2CYP2D6CYP2C19PTPN1KDM4E
SCHEMBL1962740 0.79 ALDH1A1 (0.56) HTR7PTPN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL30129318 0.79 PTPN1 (0.48) HTR7PTPN1ALDH1A1SMN1; SMN2MTNR1A
SCHEMBL5880249 0.78 NOS3 (0.48) HTR7PTPN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL17260308 0.77 MAPT (0.50) KDM4EALDH1A1SMN1; SMN2MTNR1AMTNR1B

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-9765039-B2 Biaryl derivatives as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-09-19 — — US disclosed
US-20140140956-A1 BIARYL DERIVATIVES AS BROMODOMAIN INHIBITORS RVX THERAPEUTICS INC. (CA) 2014-05-22 — — 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-20140140956-A1 BIARYL DERIVATIVES AS BROMODOMAIN INHIBITORS BRDT, BRD3, BRD4 HTR7 3027/4885CYP1A2 4421/4885CYP2D6 4503/4885

“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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