SCHEMBL255641

SCHEMBL255641

CSCC(C)(C)C(=O)N(C)c1nnc(-c2cncc(F)c2)s1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 12/20 0.39
TSHR P16473 4/20 0.39
KDM4E B2RXH2 4/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 2/20 0.37
S1PR1 P21453 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL255586 0.91 HSD17B10 (0.38) HSD17B10TSHRKDM4ENPC1RAB9A
SCHEMBL10247148 0.91 HSD17B10 (0.35) HSD17B10TSHRKDM4ENPC1RAB9A
SCHEMBL255062 0.89 HSD17B10 (0.37) HSD17B10TSHRKDM4ENPC1RAB9A
SCHEMBL255628 0.88 RAB9A (0.40) HSD17B10TSHRKDM4ENPC1RAB9A
SCHEMBL174520 0.88 HSD17B10 (0.37) HSD17B10TSHRKDM4ENPC1RAB9A
SCHEMBL10247135 0.84 HSD17B10 (0.38) HSD17B10TSHRKDM4ENPC1RAB9A
SCHEMBL255610 0.83 HSD17B10 (0.38) HSD17B10TSHRKDM4ENPC1RAB9A
SCHEMBL3742278 0.83 ABL1 (0.33)
SCHEMBL174120 0.82 HSD17B10 (0.60) HSD17B10TSHRKDM4ENPC1RAB9A
SCHEMBL10246969 0.82 HSD17B10 (0.38) HSD17B10TSHRKDM4ENPC1RAB9A

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 HSD17B10 2001/4885TSHR 1346/4885KDM4E 2988/4885
US-20140057785-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS HSD17B10 733/4885TSHR 1032/4885KDM4E 2511/4885

“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.