SCHEMBL173910

SCHEMBL173910

CNc1nnc(-c2cnccc2C(F)(F)F)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
KDM4E B2RXH2 6/20 0.51
HSD17B10 Q99714 3/20 0.51
HPGD P15428 3/20 0.51
ALOX15 P16050 2/20 0.51
POLB P06746 1/20 0.51
POLQ O75417 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
LIMK1 P53667 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
SLC22A12 Q96S37 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
PIM1 P11309 3/20 0.39
PIM3 Q86V86 3/20 0.39
PIM2 Q9P1W9 2/20 0.39
NPC1 O15118 3/20 0.38

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
SCHEMBL8042620 0.79 KDM4E (0.40) ALDH1A1KDM4EPOLQTDP1LIMK1
SCHEMBL25618858 0.71 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10ALOX15POLQ
SCHEMBL3433340 0.69 AOC1 (0.47) ALDH1A1KDM4EHSD17B10ALOX15POLB
SCHEMBL163040 0.69 KDM4E (1.00) ALDH1A1KDM4EHSD17B10HPGDALOX15
SCHEMBL6779532 0.68 GAA (0.59) ALDH1A1KDM4EHPGDPOLBPOLQ
Hydrochloric Acid SCHEMBL1964472 0.67 AOC1 (0.49) ALDH1A1KDM4EHSD17B10ALOX15POLB
SCHEMBL174140 0.67 RAB9A (0.65) ALDH1A1KDM4EHSD17B10HPGDALOX15
SCHEMBL5591777 0.67 KDM4E (0.53) ALDH1A1KDM4EHSD17B10HPGDPOLB
SCHEMBL9656308 0.66 HSD11B1 (0.47) ALDH1A1KDM4EHPGDPOLBTDP1
SCHEMBL173609 0.66 KDM4E (0.49) ALDH1A1KDM4EHSD17B10HPGDALOX15

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103188936-B Insecticidal composition DOW AGROSCIENCES LLC (US) 2016-04-20 CN 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-8604211-B2 Pesticidal compositions Dow AroSciecnes, LLC. (US) 2013-12-10 US disclosed
EP-2611299-A1 PESTICIDAL COMPOSITIONS Dow AgroSciences LLC (US) 2013-07-10 EP disclosed
CN-103188936-A Insecticidal composition DOW AGROSCIENCES LLC 2013-07-03 CN 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

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.