SCHEMBL174599

SCHEMBL174599

Clc1nnc(-c2cccnc2)s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
RAB9A P51151 4/20 0.55
NPC1 O15118 3/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
CYP2A6 P11509 4/20 0.53
ALDH1A1 P00352 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
HSD17B10 Q99714 2/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
S1PR1 P21453 1/20 0.48
BLM P54132 1/20 0.48
CYP19A1 P11511 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
SCHEMBL1424931 0.86 KDM4E (0.75) KDM4ESMN1; SMN2RAB9ANPC1MEN1
SCHEMBL12278703 0.79 KDM4E (0.66) KDM4ESMN1; SMN2RAB9ANPC1MEN1
SCHEMBL30803985 0.79 KDM4E (0.66) KDM4ESMN1; SMN2RAB9ANPC1MEN1
SCHEMBL255577 0.79 KDM4E (0.66) KDM4ESMN1; SMN2RAB9ANPC1MEN1
SCHEMBL974438 0.78 ALDH1A1 (0.52) KDM4ESMN1; SMN2RAB9ANPC1MEN1
SCHEMBL970073 0.78 KDM4E (0.64) KDM4ESMN1; SMN2RAB9ANPC1MEN1
Bromide SCHEMBL162182 0.78 KDM4E (0.64) KDM4ESMN1; SMN2RAB9ANPC1MEN1
SCHEMBL30494594 0.78 KDM4E (1.00) KDM4ESMN1; SMN2RAB9ANPC1MEN1
SCHEMBL255979 0.78 KDM4E (0.64) KDM4ESMN1; SMN2RAB9ANPC1MEN1
SCHEMBL170969 0.78 KDM4E (1.00) KDM4ESMN1; SMN2RAB9ANPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912338-B2 Pesticidal compositions Dow AgroScience, LLC. (US) 2014-12-16 US disclosed
US-8912338-B2 Pesticidal compositions Dow AgroScience, LLC. (US) 2014-12-16 US disclosed
US-8912338-B2 Pesticidal compositions Dow AgroScience, LLC. (US) 2014-12-16 US disclosed
US-20140057785-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-02-27 US disclosed
US-20140057785-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-02-27 US disclosed
US-20140057785-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-02-27 US disclosed
US-8604211-B2 Pesticidal compositions Dow AroSciecnes, LLC. (US) 2013-12-10 US disclosed
EP-2611299-A1 PESTICIDAL COMPOSITIONS Dow AgroSciences LLC (US) 2013-07-10 EP disclosed
WO-2012030681-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-03-08 WO disclosed
WO-2012030681-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-03-08 WO disclosed
US-20120053146-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC 2012-03-01 US disclosed
US-20120053146-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC 2012-03-01 US disclosed
US-20120053146-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC 2012-03-01 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 (2 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-20120053146-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS KDM4E 2988/4885SMN1; SMN2 3552/4885RAB9A 314/4885
US-20140057785-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS KDM4E 2511/4885SMN1; SMN2 4175/4885RAB9A 296/4885

“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.