SCHEMBL255828

SCHEMBL255828

CCOC(=O)Nc1nnc(-c2cccnc2)s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.64
KDM4E B2RXH2 6/20 0.64
HSD17B10 Q99714 6/20 0.64
HPGD P15428 5/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
USP2 O75604 2/20 0.64
RAB9A P51151 4/20 0.62
HDAC1 Q13547 2/20 0.58
HDAC2 Q92769 2/20 0.58
NPC1 O15118 2/20 0.57
MAPT P10636 2/20 0.56
GAA P10253 2/20 0.53
RCE1 Q9Y256 1/20 0.53
BLM P54132 2/20 0.53
POLB P06746 2/20 0.53
RECQL P46063 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
DUSP3 P51452 1/20 0.53
PTPN5 P54829 1/20 0.53
PTPN11 Q06124 1/20 0.53

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
SCHEMBL27911826 0.87 ALDH1A1 (0.58) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL2423069 0.85 KDM4E (0.74) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL27911817 0.85 ALDH1A1 (0.56) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL8136410 0.84 ALDH1A1 (0.55) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL5814903 0.83 ABL1 (0.52) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL11008102 0.80 ALDH1A1 (0.53) ALDH1A1KDM4EHSD17B10RAB9AHDAC1
SCHEMBL27821589 0.80 RAB9A (0.58) ALDH1A1KDM4EHSD17B10HPGDRAB9A
SCHEMBL23932950 0.80 ALDH1A1 (0.67) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL1638585 0.80 CDC7 (0.56) ALDH1A1KDM4EHSD17B10SMN1; SMN2USP2
SCHEMBL27804580 0.78 HDAC1 (0.68) ALDH1A1KDM4EHSD17B10HPGDSMN1; 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 7 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-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
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 ALDH1A1 1882/4885KDM4E 2988/4885HSD17B10 2001/4885
US-20140057785-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS ALDH1A1 1438/4885KDM4E 2511/4885HSD17B10 733/4885

“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.