SCHEMBL4593337

SCHEMBL4593337

C#CCOc1cc(NC(=O)/C=N\OC)c(F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
LMNA P02545 2/20 0.40
EGFR P00533 5/20 0.40
ERBB2 P04626 1/20 0.40
HTT P42858 1/20 0.38
CYP2B6 P20813 1/20 0.37
PGK1 P00558 1/20 0.37
TSHR P16473 2/20 0.36
HPGD P15428 1/20 0.36
TP53 P04637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDR P35968 3/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
DHODH Q02127 1/20 0.33
MAOA P21397 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33

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
SCHEMBL4593339 1.00 ALDH1A1 (0.41) ALDH1A1LMNAEGFRERBB2HTT
SCHEMBL8998078 0.83 CYP2B6 (0.44) ALDH1A1LMNAEGFRERBB2HTT
SCHEMBL16774399 0.79 DHODH (0.45) ALDH1A1LMNAEGFRERBB2HTT
SCHEMBL16774378 0.79 PGK1 (0.41) LMNAEGFRERBB2CYP2B6PGK1
SCHEMBL17197232 0.79 LMNA (0.41) ALDH1A1LMNAEGFRERBB2CYP2B6
SCHEMBL8982258 0.78 NPC1 (0.46) ALDH1A1LMNAEGFRERBB2CYP2B6
SCHEMBL16774525 0.76 PGK1 (0.39) LMNAEGFRERBB2CYP2B6PGK1
SCHEMBL7477262 0.75 PGK1 (0.43) ALDH1A1LMNAEGFRERBB2HTT
SCHEMBL19048819 0.74 CYP2B6 (0.36) LMNAEGFRERBB2HTTCYP2B6
SCHEMBL16774328 0.74 LMNA (0.38) LMNAEGFRERBB2HTTCYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8212050-B2 Amidine compounds and herbicides NIPPON SODA CO., LTD. (JP) 2012-07-03 US disclosed
US-20110301355-A1 Amidine compounds and herbicides NIPPON SODA CO., LTD. (JP) 2011-12-08 US disclosed
EP-1911350-A1 AMIDINE COMPOUND AND HERBICIDE NIPPON SODA CO., LTD. (JP) 2008-04-16 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-20110301355-A1 Amidine compounds and herbicides DDT, GATD3, PAM ALDH1A1 1998/4885LMNA 1418/4885EGFR 3184/4885

“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.