SCHEMBL14754138

SCHEMBL14754138

Cc1cc2ccc(=O)[nH]c2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.60
CA12 O43570 5/20 0.47
CA9 Q16790 5/20 0.47
KDM4E B2RXH2 3/20 0.42
GAA P10253 2/20 0.42
CA1 P00915 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
LPO P22079 1/20 0.39
PTGS1 P23219 1/20 0.39
F11 P03951 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL16631524 0.79 BRD4 (0.48) ADORA1CA12CA9CA1CA3
SCHEMBL4297133 0.78 CA12 (0.50) ADORA1CA12CA9CA1CA3
SCHEMBL15829225 0.78 ADORA1 (0.42) ADORA1CA12CA9KDM4EGAA
SCHEMBL16631395 0.76 CA12 (0.42) ADORA1CA12CA9CA1SMN1; SMN2
SCHEMBL20801867 0.74 CA12 (0.39) ADORA1CA12CA9CA1SMN1; SMN2
SCHEMBL18080519 0.71 BTK (0.45) ADORA1CA12CA9CA1CA3
SCHEMBL1423460 0.69 ALOX15 (0.59) KDM4EGAASMN1; SMN2ALDH1A1HPGD
SCHEMBL18080520 0.69 CHEK1 (0.39) ADORA1CA12CA9CA1CA3
SCHEMBL4429156 0.66 KDM4E (0.44) CA12CA9KDM4EGAACA1
SCHEMBL436560 0.65 CA12 (0.74) CA12CA9KDM4ECA1CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210032207-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-02-04 US disclosed
EP-3318557-A2 QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2018-05-09 EP disclosed
WO-2013029548-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-07 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-20210032207-A1 QUINOLONE COMPOUND HAX1, NQO2, CXCR1 ADORA1 1606/4885CA12 3803/4885CA9 2089/4885

“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.