SCHEMBL174170

SCHEMBL174170

c1ccc(Nc2nnc(-c3cccnc3)s2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 1.00
KMT2A Q03164 4/20 1.00
RAB9A P51151 4/20 1.00
NPC1 O15118 4/20 1.00
KDM4E B2RXH2 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KDR P35968 3/20 0.55
PKM P14618 1/20 0.52
ALDH1A1 P00352 2/20 0.51
HDAC6 Q9UBN7 1/20 0.51
P2RY1 P47900 1/20 0.50
MAPT P10636 1/20 0.50
BLM P54132 1/20 0.49
ABL1 P00519 1/20 0.49
EGFR P00533 1/20 0.49
PRKCA P17252 1/20 0.49
PRKCD Q05655 1/20 0.49
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL28577343 0.91 NPC1 (0.83) MEN1KMT2ARAB9ANPC1KDM4E
SCHEMBL29364287 0.91 NPC1 (0.83) MEN1KMT2ARAB9ANPC1KDM4E
SCHEMBL12015939 0.85 NPC1 (0.73) MEN1KMT2ARAB9ANPC1KDM4E
SCHEMBL8145039 0.80 RAB9A (0.77) MEN1KMT2ARAB9ANPC1KDM4E
SCHEMBL23220346 0.80 NPC1 (0.67) MEN1KMT2ARAB9ANPC1KDM4E
SCHEMBL23220335 0.79 NPC1 (0.64) MEN1KMT2ARAB9ANPC1KDM4E
SCHEMBL1424931 0.79 KDM4E (0.75) MEN1KMT2ARAB9ANPC1KDM4E
SCHEMBL174140 0.79 RAB9A (0.65) MEN1KMT2ARAB9ANPC1KDM4E
SCHEMBL11666704 0.75 RAB9A (0.59) MEN1KMT2ARAB9ANPC1KDM4E
SCHEMBL212959 0.75 RAB9A (0.60) MEN1KMT2ARAB9ANPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103188936-B Insecticidal composition DOW AGROSCIENCES LLC (US) 2016-04-20 CN 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-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
CN-103188936-A Insecticidal composition DOW AGROSCIENCES LLC 2013-07-03 CN 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

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 MEN1 3463/4885KMT2A 3522/4885RAB9A 314/4885
US-20140057785-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS MEN1 2640/4885KMT2A 3773/4885RAB9A 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.