SCHEMBL923008

SCHEMBL923008

NCc1cccc(Oc2cccc(I)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
ST14 Q9Y5Y6 1/20 0.47
F10 P00742 2/20 0.44
MAOB P27338 2/20 0.42
PNMT P11086 1/20 0.42
ENPP2 Q13822 1/20 0.42
LOXL2 Q9Y4K0 5/20 0.42
TAAR1 Q96RJ0 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
THPO P40225 1/20 0.40
RAB9A P51151 1/20 0.40
HIF1A Q16665 1/20 0.40
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39

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
SCHEMBL4949955 0.88 ST14 (0.58) ST14F10MAOBPNMTENPP2
SCHEMBL1301847 0.82 LOXL2 (0.58) ST14MAOBLOXL2
SCHEMBL156276 0.82
SCHEMBL29439586 0.82
SCHEMBL30148759 0.82 ALDH1A1 (0.46) IDO1F10MAOB
SCHEMBL3841098 0.82 ALDH1A1 (0.46) IDO1F10MAOB
Hydrochloric Acid SCHEMBL919885 0.81 LOXL2 (0.57) ST14MAOBLOXL2
Hydrochloric Acid SCHEMBL30732660 0.80 IDO1 (0.61) IDO1PNMTENPP2LOXL2CYP1A2
Hydrochloric Acid SCHEMBL302630 0.80 IDO1 (0.61) IDO1PNMTENPP2LOXL2CYP1A2
SCHEMBL3845360 0.80 SMN1; SMN2 (0.50) IDO1F10MAOB

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-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 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-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 IDO1 675/4885ST14 708/4885F10 3388/4885

“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.