SCHEMBL16651920

SCHEMBL16651920

CCN(C(=O)CCSCCC(F)(F)F)c1sc(-c2cccnc2)nc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.41
DBF4 Q9UBU7 2/20 0.41
MAPT P10636 3/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
USP2 O75604 1/20 0.37
S1PR1 P21453 4/20 0.36
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2C19 P33261 2/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 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
SCHEMBL16652391 0.89 CDC7 (0.36) CDC7DBF4MAPTALDH1A1L3MBTL1
SCHEMBL290945 0.86 HSD17B10 (0.43) CDC7DBF4MAPTHSD17B10ALDH1A1
SCHEMBL16652286 0.85 CDC7 (0.41) CDC7DBF4MAPTHSD17B10ALDH1A1
SCHEMBL16651317 0.84 CDC7 (0.40) CDC7DBF4MAPTHSD17B10ALDH1A1
SCHEMBL16651350 0.83 IRAK4 (0.33)
SCHEMBL13048877 0.82 L3MBTL1 (0.54) MAPTHSD17B10ALDH1A1MAPK1HTT
SCHEMBL17589730 0.82 ALDH1A1 (0.44) CDC7DBF4MAPTHSD17B10ALDH1A1
SCHEMBL16653277 0.81 CYP1A2 (0.40) CDC7DBF4MAPTHSD17B10ALDH1A1
SCHEMBL23485362 0.80 ALDH1A1 (0.43) CDC7DBF4MAPTHSD17B10ALDH1A1
SCHEMBL16653122 0.80 CYP1A2 (0.40) CDC7DBF4MAPTHSD17B10ALDH1A1

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-9445597-B2 Pesticidal compositions and related methods DOW AGROSCIENCES LLC (US) 2016-09-20 US disclosed
US-20150111731-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS CORTEVA AGRISCIENCE LLC 2015-04-23 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-20150111731-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS PTMS, CNP, ACHE CDC7 2879/4885DBF4 2824/4885MAPT 3569/4885

“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.