SCHEMBL9933482

SCHEMBL9933482

COc1cc(N)cc(Br)c1Oc1cc(Cl)ncn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.38
ALOX15 P16050 2/20 0.36
ALOX12 P18054 1/20 0.36
TSHR P16473 2/20 0.35
APOBEC3A P31941 1/20 0.35
HTT P42858 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL1437032 0.86 MAPT (0.42) PDE5AALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL4301977 0.76 MAPT (0.46) TSHRHTTALDH1A1MAPTSMN1; SMN2
SCHEMBL1437219 0.75 KDM4E (0.36) HTTALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL3365131 0.72 TSHR (0.55) ALOX15ALOX12TSHRAPOBEC3AHTT
SCHEMBL9932593 0.71 KDR (0.42) PDE5AMAPTEGFR
SCHEMBL9932373 0.69 MAPT (0.39) HTTALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL31051487 0.68
SCHEMBL632070 0.68
SCHEMBL31051498 0.68
SCHEMBL5660899 0.67 POLB (0.47) TSHRAPOBEC3AHTTAPOBEC3GALDH1A1

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-20120157482-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC 2012-06-21 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-20120157482-A1 COMPOUNDS AND METHODS NQO1, CYP1B1, CYP1A1 PDE5A 2006/4885ALOX15 936/4885ALOX12 429/4885

“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.