SCHEMBL14417717

SCHEMBL14417717

COc1cc(-c2nc3c(Cl)cc(Cl)cc3c(=O)o2)cc(-c2nc3c(Cl)cc(Cl)cc3c(=O)o2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.52
▸ HPGD P15428 4/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ KMT2A Q03164 2/20 0.44
▸ F2 P00734 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ CASP3 P42574 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ CYP1A1 P04798 1/20 0.37
▸ CYP1B1 Q16678 1/20 0.37
▸ ELANE P08246 1/20 0.37
▸ TP53 P04637 3/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36

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
SCHEMBL14417720 0.79 ALDH1A1 (0.66) ALDH1A1HPGDKDM4EKMT2AF2
SCHEMBL14417719 0.76 ALDH1A1 (0.66) ALDH1A1HPGDKDM4EKMT2AF2
SCHEMBL7191472 0.75 IKBKB (0.42) ALDH1A1KDM4EKMT2ASMN1; SMN2MAPT
SCHEMBL12758412 0.73 MEN1 (0.38) ALDH1A1HPGDKDM4EKMT2AF2
SCHEMBL12758406 0.72 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EKMT2AF2
SCHEMBL12758394 0.72 ELANE (0.47) ALDH1A1HPGDKDM4EKMT2AMAPT
SCHEMBL14417715 0.71 ALDH1A1 (0.94) ALDH1A1HPGDKDM4EKMT2AF2
SCHEMBL23040964 0.71 ALDH1A1 (0.64) ALDH1A1HPGDKDM4EKMT2AF2
SCHEMBL7193264 0.70 NOTUM (0.47) ALDH1A1HPGDKDM4ESMN1; SMN2MAPT
SCHEMBL12010961 0.69 ALDH1A1 (1.00) ALDH1A1HPGDKDM4EKMT2AF2

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-20070219343-A1 Isobenzoxazinones And Their Use As Ultraviolet Light Absorbers CLARIANT INTERNATIONAL LTD. (CH) 2007-09-20 — — 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-20070219343-A1 Isobenzoxazinones And Their Use As Ultraviolet Light Absorbers CYP1B1, UGT1A7, UGT2B17 ALDH1A1 41/4885HPGD 171/4885KDM4E 2062/4885

“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.

Send feedback