SCHEMBL5486761

SCHEMBL5486761

COc1cccc2c(I)nn(C(=O)O)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.42
NQO2 P16083 1/20 0.42
ALDH1A1 P00352 6/20 0.41
GAA P10253 4/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
KDM4E B2RXH2 6/20 0.40
HPGD P15428 4/20 0.40
HTT P42858 3/20 0.40
GLA P06280 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
ATM Q13315 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40

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
SCHEMBL5476767 0.82 P2RX3 (0.40) CYP19A1NQO2ALDH1A1GAAKDM4E
SCHEMBL7354285 0.69 HTR3A (0.55) CYP19A1NQO2ALDH1A1GAACA12
SCHEMBL595612 0.66 KDM4E (0.44) CYP19A1NQO2ALDH1A1GAAKDM4E
SCHEMBL14631365 0.65 PTGDR2 (0.44) ALDH1A1GAACA12CA1CA2
SCHEMBL28932406 0.65 TSHR (0.41) ALDH1A1CA12CA9KDM4EHPGD
SCHEMBL27893567 0.64 EGFR (0.43) CYP19A1NQO2ALDH1A1GAACA12
SCHEMBL15902247 0.64 ERN1 (0.46) CYP19A1NQO2ALDH1A1GAACA12
SCHEMBL27390205 0.64 ABCG2 (0.47) CYP19A1NQO2ALDH1A1GAAKDM4E
SCHEMBL15778395 0.63 ALDH1A1 (0.52) ALDH1A1GAACA12CA1CA2
SCHEMBL23782714 0.63 ELANE (0.49) ALDH1A1KDM4EHPGDHTTKMT2A

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-7217724-B2 Indole, indazole, and benzazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-05-15 US disclosed
US-20060063762-A1 Indole indazole and benzazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2006-03-23 US disclosed
EP-1514869-A1 INDOLE, INDAZOLE, AND BENZAZOLE DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-03-16 EP 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-20060063762-A1 Indole indazole and benzazole derivative ADRB3, ADRA2C, ADRB2 CYP19A1 309/4885NQO2 711/4885ALDH1A1 847/4885

“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.