SCHEMBL6758198

SCHEMBL6758198

Nc1ccc(-c2ncn(-c3ccccc3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
ALDH1A1 P00352 6/20 0.45
RAB9A P51151 6/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
TSHR P16473 3/20 0.45
GFER P55789 1/20 0.45
MAPT P10636 5/20 0.43
HPGD P15428 4/20 0.43
HSD17B10 Q99714 2/20 0.42
CYP3A4 P08684 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ADORA2A P29274 3/20 0.41
ADORA2B P29275 2/20 0.41
ADORA1 P30542 2/20 0.41
NPC1 O15118 5/20 0.41
ALOX15 P16050 1/20 0.41
KDM4E B2RXH2 4/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL4549484 0.93 MEN1 (0.43) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL458419 0.87 NPC1 (0.46) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL2396469 0.84 CYP11B1 (0.44) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL16089351 0.83 SMN1; SMN2 (0.48) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL6758439 0.83 SMN1; SMN2 (0.48) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL17589682 0.83 MAPT (0.42) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL16073117 0.83 NPC1 (0.47) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL3753691 0.81 MAPT (0.40) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL6832118 0.80 KCNJ1 (0.44) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL4549490 0.80 HPGDS (0.50) MEN1KMT2AALDH1A1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006468-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2015-04-14 US disclosed
US-20120122805-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-05-17 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-20120122805-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS MEN1 3349/4885KMT2A 1970/4885ALDH1A1 2560/4885

“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.