SCHEMBL565790

SCHEMBL565790

NC(=O)c1cc(I)c(O)nc1O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 2/20 0.40
▸ KDM4E B2RXH2 4/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ HPGD P15428 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ IKBKB O14920 2/20 0.34
▸ CHUK O15111 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PARP1 P09874 3/20 0.33
▸ GAA P10253 2/20 0.32
▸ CDC7 O00311 1/20 0.32
▸ PDPK1 O15530 1/20 0.32
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ LCK P06239 2/20 0.31
▸ GLA P06280 1/20 0.31
▸ HTT P42858 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
SCHEMBL9687559 0.77 DGAT1 (0.42) KDM4EALDH1A1HPGDTSHRMAPT
SCHEMBL10186882 0.75 NNMT (0.44) KDM4EIKBKBCHUKLMNAPARP1
SCHEMBL565674 0.75 LMNA (0.42) KDM4EALDH1A1HPGDTSHRMAPT
SCHEMBL27902963 0.74 NQO2 (0.40) NQO2KDM4EALDH1A1HPGDTSHR
SCHEMBL25130513 0.71 IKBKB (0.50) NQO2KDM4EALDH1A1HPGDIKBKB
SCHEMBL11310572 0.69 SLC9A1 (0.41) —
SCHEMBL10963400 0.68 TP53 (0.40) NQO2KDM4EALDH1A1HPGDTSHR
SCHEMBL30584970 0.67 NQO2 (0.39) NQO2KDM4EALDH1A1HPGDTSHR
SCHEMBL29538 0.67 IKBKB (0.69) KDM4EALDH1A1HPGDTSHRMAPT
SCHEMBL16828747 0.67 NNMT (0.39) NQO2KDM4EPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9499570-B2 Boron containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2016-11-22 — — US disclosed
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, LLC 2015-12-31 — — US disclosed
US-9145429-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2015-09-29 — — US disclosed
US-20140200198-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2014-07-17 — — US disclosed
US-8716478-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2014-05-06 — — US disclosed
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-02-09 — — US disclosed
WO-2011094450-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC (US) 2011-08-04 — — 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 (3 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-20140200198-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 NQO2 2021/4885KDM4E 3959/4885ALDH1A1 3735/4885
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 NQO2 2021/4885KDM4E 3959/4885ALDH1A1 3735/4885
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 NQO2 2021/4885KDM4E 3959/4885ALDH1A1 3735/4885

“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.

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