SCHEMBL17576252

SCHEMBL17576252

COc1cccc2c1ccc(=O)n2C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 2/20 0.49
GLA P06280 2/20 0.49
GAA P10253 2/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
NQO2 P16083 2/20 0.49
CYP19A1 P11511 1/20 0.49
CA12 O43570 1/20 0.47
BRD4 O60885 1/20 0.47
BRPF1 P55201 1/20 0.47
CA9 Q16790 1/20 0.47
KAT2B Q92831 1/20 0.47
BRD9 Q9H8M2 1/20 0.47
ADORA1 P30542 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP2A6 P11509 1/20 0.45

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
SCHEMBL9499742 0.81 DAO (0.51) KDM4ESMN1; SMN2ALDH1A1GLAGAA
SCHEMBL30783436 0.79 KCNA3 (0.61) KDM4ESMN1; SMN2ALDH1A1GLAGAA
SCHEMBL11379787 0.79 KCNA3 (0.61) KDM4ESMN1; SMN2ALDH1A1GLAGAA
SCHEMBL28033876 0.78 MTNR1B (0.40) GAANQO2CYP19A1CYP2A6HTR6
SCHEMBL1239026 0.77 KCNA3 (0.52) SMN1; SMN2ALDH1A1GAAHPGDBRD4
SCHEMBL8844829 0.76 KCNA3 (0.46) ALDH1A1GAAMAPTPOLBKCNA3
SCHEMBL11284233 0.76 KMT2A (0.48) SMN1; SMN2ALDH1A1GAAHPGDHSD17B10
SCHEMBL7478119 0.76 KDM4E (0.61) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL31426151 0.75 NQO2 (0.53) KDM4EALDH1A1NQO2CYP19A1BRD4
SCHEMBL2800336 0.74 TNFRSF1A (0.43) ALDH1A1CYP2A6HTR6MAPTKCNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170291875-A1 QUINOLONES AS INHIBITORS OF CLASS IV BROMODOMAIN PROTEINS UCL BUSINESS PLC (GB) 2017-10-12 US disclosed
US-20170291875-A1 QUINOLONES AS INHIBITORS OF CLASS IV BROMODOMAIN PROTEINS UCL BUSINESS PLC (GB) 2017-10-12 US disclosed
US-20170291875-A1 QUINOLONES AS INHIBITORS OF CLASS IV BROMODOMAIN PROTEINS UCL BUSINESS PLC (GB) 2017-10-12 US disclosed
WO-2016034512-A1 QUINOLONES AS INHIBITORS OF CLASS IV BROMODOMAIN PROTEINS UCL BUSINESS PLC (GB) 2016-03-10 WO 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-20170291875-A1 QUINOLONES AS INHIBITORS OF CLASS IV BROMODOMAIN PROTEINS BRD4, BRPF3, BRD3 KDM4E 401/4885SMN1; SMN2 4663/4885ALDH1A1 3256/4885

“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.