SCHEMBL685146

SCHEMBL685146

O=C(N/N=C(\CCc1ccccc1)c1ccccc1O)c1ccccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
GAA P10253 2/20 0.56
MAPK1 P28482 1/20 0.56
NPC1 O15118 3/20 0.55
RAB9A P51151 2/20 0.55
KDM4E B2RXH2 4/20 0.52
POLB P06746 2/20 0.51
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NLRP1 Q9C000 1/20 0.50
ATM Q13315 1/20 0.49
RECQL P46063 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 1/20 0.46
MEN1 O00255 2/20 0.46

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
SCHEMBL684856 0.90 GAA (0.50) SMN1; SMN2GAAMAPK1NPC1RAB9A
SCHEMBL684545 0.82 SMN1; SMN2 (0.65) SMN1; SMN2GAAMAPK1NPC1RAB9A
SCHEMBL684474 0.79 SMN1; SMN2 (0.58) SMN1; SMN2GAAMAPK1NPC1RAB9A
SCHEMBL684651 0.76 KDM1A (0.65) SMN1; SMN2GAANPC1RAB9AKDM4E
SCHEMBL684544 0.72 KDM4E (0.59) SMN1; SMN2GAAMAPK1NPC1RAB9A
SCHEMBL6356707 0.71 NPC1 (1.00) SMN1; SMN2NPC1RAB9APOLBALDH1A1
SCHEMBL684602 0.70 KDM4E (0.65) NPC1RAB9AKDM4EPOLBMAPT
Dihydrochalcone SCHEMBL29359372 0.70 CYP19A1 (0.80) SMN1; SMN2GAANPC1RAB9AKDM4E
Dihydrochalcone SCHEMBL2827303 0.70 CYP19A1 (0.80) SMN1; SMN2GAANPC1RAB9AKDM4E
SCHEMBL27178254 0.69 MAPT (0.77) SMN1; SMN2GAANPC1RAB9AKDM4E

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-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-12 US disclosed
US-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-12 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-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, SOD3 SMN1; SMN2 4107/4885GAA 670/4885MAPK1 3282/4885

“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.