SCHEMBL14565682

SCHEMBL14565682

Nc1cc(Cl)c(C(=O)CO)cc1I

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.34
NQO2 P16083 3/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
SLC9A1 P19634 1/20 0.31
CFTR P13569 1/20 0.30
ERCC5 P28715 2/20 0.30
FEN1 P39748 2/20 0.30
RECQL P46063 1/20 0.30
ACHE P22303 2/20 0.30
HTR4 Q13639 2/20 0.30

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
SCHEMBL4736844 0.79 CA12 (0.46) CYP3A4GAAALDH1A1CA1CA2
SCHEMBL121510 0.78 GAA (0.36) CYP3A4NQO2GAAALDH1A1MAPK1
SCHEMBL144288 0.74 GAA (0.53) NQO2GAAALDH1A1KDM4EMAPT
SCHEMBL1817672 0.73 CA1 (0.51) CYP3A4GAAALDH1A1MAPK1CA1
SCHEMBL14565684 0.72 CA1 (0.39) ALDH1A1CA1CA2CA9KDM4E
SCHEMBL31515128 0.72 NQO2 (0.46) CYP3A4NQO2GAAALDH1A1CA1
SCHEMBL31515141 0.72 CA12 (0.46) CYP3A4GAAALDH1A1CA1CA2
SCHEMBL31515130 0.72 NQO2 (0.46) CYP3A4NQO2GAAALDH1A1CA1
SCHEMBL18748546 0.71 KDR (0.34) CYP3A4ALDH1A1KDM4EMAPTCFTR
SCHEMBL12236619 0.70 CYP3A4 (0.45) CYP3A4GAAALDH1A1HIF1ACA1

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-20070066833-A1 Methods to synthesize indoles as precursors for pharmaceuticals SCIOS, INC. (US) 2007-03-22 US disclosed
US-20070066833-A1 Methods to synthesize indoles as precursors for pharmaceuticals SCIOS, INC. (US) 2007-03-22 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-20070066833-A1 Methods to synthesize indoles as precursors for pharmaceuticals IDO1, IDO2, INMT CYP3A4 26/4885NQO2 681/4885GAA 3099/4885

“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.