SCHEMBL1486771

SCHEMBL1486771

S=C(Cl)Nc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
TAS2R38 P59533 3/20 0.64
HSD17B10 Q99714 2/20 0.64
CYP3A4 P08684 1/20 0.64
GAA P10253 7/20 0.58
KMT2A Q03164 4/20 0.58
NOX1 Q9Y5S8 2/20 0.58
MEN1 O00255 2/20 0.58
RAB9A P51151 2/20 0.58
TP53 P04637 2/20 0.58
TSHR P16473 2/20 0.58
NPC1 O15118 1/20 0.58
TYR P14679 1/20 0.58
PHGDH O43175 1/20 0.56
MAOA P21397 2/20 0.52
MAOB P27338 2/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
EPHX1 P07099 1/20 0.50

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
SCHEMBL3070807 0.78 ALDH1A1 (0.70) ALDH1A1TAS2R38HSD17B10CYP3A4GAA
SCHEMBL1936559 0.78 ALDH1A1 (0.70) ALDH1A1TAS2R38HSD17B10CYP3A4GAA
SCHEMBL132620 0.78 ALDH1A1 (1.00) ALDH1A1TAS2R38HSD17B10CYP3A4GAA
SCHEMBL8956322 0.76 ALDH1A1 (0.94) ALDH1A1TAS2R38HSD17B10CYP3A4GAA
SCHEMBL7670418 0.76 ALDH1A1 (0.67) ALDH1A1TAS2R38HSD17B10CYP3A4GAA
Hydrochloric Acid SCHEMBL11243942 0.76 ALDH1A1 (0.67) ALDH1A1TAS2R38HSD17B10CYP3A4GAA
Fluoride SCHEMBL28728322 0.76 ALDH1A1 (0.67) ALDH1A1TAS2R38HSD17B10CYP3A4GAA
SCHEMBL9470190 0.76 ALDH1A1 (0.94) ALDH1A1TAS2R38HSD17B10CYP3A4GAA
SCHEMBL2875258 0.75 ALDH1A1 (0.73) ALDH1A1TAS2R38HSD17B10CYP3A4GAA
SCHEMBL20560273 0.75 GAA (0.57) ALDH1A1GAAKMT2ANOX1MEN1

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-8263594-B2 Aryloxy and arylalkyleneoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-09-11 US disclosed
US-20110144099-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2011-06-16 US disclosed
US-7897597-B2 Aryloxy and arylalkyleneoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-01 US disclosed
US-4339455-A 1-(3-Pyridyl)-2,2,2-trihaloethyl compounds and fungicidal compositions containing the same CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1982-07-13 US disclosed
US-4331467-A Novel thioureidoiminoisoindolinone and use as plant growth regulator GULF OIL CORPORATION (US) 1982-05-25 US disclosed
US-4245101-A PLANT GROWTH CONTROL AGENT SCHERING AKTIENGESELLSCHAFT (DE) 1981-01-13 US disclosed
US-4189486-A FUNGICIDES CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1980-02-19 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-20110144099-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 ALDH1A1 772/4885TAS2R38 3837/4885HSD17B10 2878/4885

“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.