SCHEMBL10246820

SCHEMBL10246820

COC(=O)CCC(=O)N(C)c1nnc(-c2cnccc2C(F)(F)F)s1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 13/20 0.44
KDM4E B2RXH2 9/20 0.44
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 3/20 0.43
TP53 P04637 2/20 0.43
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLQ O75417 1/20 0.39
NPC1 O15118 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 2/20 0.37
MAPT P10636 2/20 0.37

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
SCHEMBL255985 0.85 KDM4E (0.45) HSD17B10KDM4ERAB9AALDH1A1TP53
SCHEMBL10247154 0.80 KDM4E (0.67) HSD17B10KDM4ERAB9AALDH1A1TP53
SCHEMBL174661 0.78 HSD17B10 (0.66) HSD17B10KDM4ERAB9AALDH1A1TP53
SCHEMBL255430 0.75 HSD17B10 (0.53) HSD17B10KDM4ERAB9AALDH1A1TP53
SCHEMBL10246929 0.71 HSD17B10 (0.54) HSD17B10KDM4ERAB9AALDH1A1TP53
SCHEMBL255810 0.69 HSD17B10 (0.64) HSD17B10KDM4ERAB9AALDH1A1TP53
SCHEMBL173910 0.68 ALDH1A1 (0.51) HSD17B10KDM4ERAB9AALDH1A1TP53
SCHEMBL6779223 0.66 CDC7 (0.61) KDM4EALDH1A1TP53SMN1; SMN2MAPT
SCHEMBL10246838 0.66 HSD17B10 (0.67) HSD17B10KDM4ERAB9AALDH1A1TP53
SCHEMBL255764 0.66 KDM4E (0.43) HSD17B10KDM4ERAB9AALDH1A1TP53

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 6 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
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 HSD17B10 2001/4885KDM4E 2988/4885RAB9A 314/4885
US-20140057785-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS HSD17B10 733/4885KDM4E 2511/4885RAB9A 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.