SCHEMBL4282338

SCHEMBL4282338

NC1=C(c2ccc(Cl)cc2)CCC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.55
PTGS1 P23219 4/20 0.55
SLC6A3 Q01959 3/20 0.46
SLC6A2 P23975 1/20 0.41
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYP1A2 P05177 1/20 0.36
LMNA P02545 1/20 0.35
CYP2A6 P11509 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NOTUM Q6P988 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
MAPK14 Q16539 1/20 0.34

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
SCHEMBL4198947 0.96 PTGS2 (0.50) PTGS2PTGS1SLC6A3SLC6A2NPC1
SCHEMBL1485942 0.77 FGF23 (0.46) PTGS2SLC6A3SLC6A2NPC1RAB9A
SCHEMBL4282335 0.71 SLC6A3 (0.64) PTGS2PTGS1SLC6A3SLC6A2
Sulfamide SCHEMBL4639068 0.71 PTGS2 (0.70) PTGS2PTGS1SLC6A3CYP1A2LMNA
SCHEMBL215545 0.71 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8656566 0.69 PTGS2 (0.60) PTGS2PTGS1SLC6A3SLC6A2NPC1
SCHEMBL1958644 0.69 PTGS2 (0.50) PTGS2PTGS1SLC6A3SLC6A2KDM4E
SCHEMBL1957330 0.69 SLC6A3 (0.46) PTGS2PTGS1SLC6A3SLC6A2NOTUM
SCHEMBL435618 0.69 LMNA (0.44) PTGS2PTGS1SLC6A3NPC1RAB9A
SCHEMBL31371097 0.68 LMNA (0.50) PTGS2PTGS1SLC6A3SLC6A2CYP1A2

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-8188088-B2 Ethenyl carboxamide derivatives useful as microbiocides SYNGENTA PARTICIPATIONS AG (CH) 2012-05-29 US disclosed
US-20090318495-A1 ETHENYL CARBOXAMIDE DERIVATIVES USEFUL AS MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2009-12-24 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-20090318495-A1 ETHENYL CARBOXAMIDE DERIVATIVES USEFUL AS MICROBIOCIDES CD14, MSR1, ELANE PTGS2 938/4885PTGS1 747/4885SLC6A3 3347/4885

“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.