SCHEMBL14580451

SCHEMBL14580451

CCCCCN1CCSC1=N

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INMT O95050 5/20 0.54
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CHRNA1 P02708 1/20 0.36
CHRNA7 P36544 1/20 0.36
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
HTT P42858 3/20 0.35
ALDH1A1 P00352 1/20 0.35
PABPC1 P11940 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35

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
SCHEMBL8539868 0.94 INMT (0.56) INMTNPC1RAB9ALMNAKDM4E
Iodide SCHEMBL8539638 0.92 INMT (0.57) INMTNPC1RAB9ALMNAKDM4E
SCHEMBL8775918 0.81 MGLL (0.43) INMTNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL28626171 0.79 MGLL (0.46) INMTLMNAKDM4EMAPTFAAH
SCHEMBL8673154 0.78 INMT (0.50) INMTNPC1RAB9ALMNAKDM4E
Bromide SCHEMBL8674805 0.77 INMT (0.48) INMTNPC1RAB9ALMNAKDM4E
SCHEMBL167690 0.77 ALDH1A1 (0.42) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL11176239 0.76 ALDH1A1 (0.41) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL11187787 0.76 ALDH1A1 (0.41) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL11182379 0.76 ALDH1A1 (0.41) NPC1RAB9ALMNAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2731430-B1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-04-03 EP disclosed
US-9440964-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2016-09-13 US disclosed
US-20150196033-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (IN) 2015-07-16 US disclosed
US-20150197514-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2015-07-16 US disclosed
EP-2731430-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO Dow AgroSciences LLC (US) 2014-05-21 EP disclosed
WO-2014011429-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-01-16 WO disclosed
US-20130019348-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-01-17 US disclosed
WO-2013009791-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-01-17 WO 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 (3 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-20150196033-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, CAT INMT 1607/4885NPC1 3651/4885RAB9A 277/4885
US-20150197514-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, CAT INMT 1607/4885NPC1 3651/4885RAB9A 277/4885
US-20130019348-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, CAT INMT 1607/4885NPC1 3651/4885RAB9A 277/4885

“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.