SCHEMBL19712005

SCHEMBL19712005

CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc2ncc(C(F)(F)F)cn12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
STAT3 P40763 1/20 0.31
STAT1 P42224 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
S1PR1 P21453 1/20 0.30

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
SCHEMBL21550152 0.88 POLB (0.43) POLBALDH1A1S1PR1
SCHEMBL21550082 0.87 POLB (0.42) POLBMEN1NPC1ALDH1A1STAT3
SCHEMBL19712043 0.85 POLB (0.42) POLB
SCHEMBL21609575 0.84 POLB (0.45) POLBMEN1KMT2AS1PR1
SCHEMBL19712002 0.84 POLB (0.43) POLBMEN1KMT2A
SCHEMBL21609571 0.84 POLB (0.46) POLBMEN1NPC1ALDH1A1STAT3
SCHEMBL21805955 0.84 POLB (0.41) POLBALDH1A1
SCHEMBL21550144 0.84 POLB (0.41) POLBMEN1NPC1ALDH1A1STAT3
SCHEMBL21550142 0.84 POLB (0.41) POLB
SCHEMBL29358501 0.84 POLB (0.41) POLBALDH1A1

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
EP-3257853-B1 CONDENSED HETEROCYCLIC COMPOUND AND NOXIOUS ORGANISM CONTROL AGENT NISSAN CHEMICAL CORP (JP) 2021-11-10 EP disclosed
US-20210017194-A1 CONDENSED HETEROCYCLIC COMPOUNDS AND PESTICIDES NISSAN CHEMICAL CORPORATION (JP) 2021-01-21 US disclosed
US-10882869-B2 Condensed heterocyclic compounds and pesticides NISSAN CHEMICAL CORPORATION (JP) 2021-01-05 US disclosed
US-10464950-B2 Condensed heterocyclic compounds and pesticides NISSAN CHEMICAL CORPORATION (JP) 2019-11-05 US disclosed
US-20180022760-A1 CONDENSED HETEROCYCLIC COMPOUNDS AND PESTICIDES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-01-25 US disclosed
EP-3257853-A1 CONDENSED HETEROCYCLIC COMPOUND AND NOXIOUS ORGANISM CONTROL AGENT Nissan Chemical Industries, Ltd. (JP) 2017-12-20 EP 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 (4 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-20180022760-A1 CONDENSED HETEROCYCLIC COMPOUNDS AND PESTICIDES HDAC3, CHRM3, NR1D2 POLB 4146/4885MEN1 3122/4885NPC1 382/4885
US-10882869-B2 Condensed heterocyclic compounds and pesticides CNPY3, CNPY2, CHRM1 POLB 3806/4885MEN1 615/4885NPC1 2793/4885
US-20210017194-A1 CONDENSED HETEROCYCLIC COMPOUNDS AND PESTICIDES HDAC3, CHRM3, NR1D2 POLB 4146/4885MEN1 3122/4885NPC1 382/4885
US-10464950-B2 Condensed heterocyclic compounds and pesticides HDAC3, CHRM3, NR1D2 POLB 4146/4885MEN1 3122/4885NPC1 382/4885

“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.