SCHEMBL19767669

SCHEMBL19767669

CCS(=O)(=O)c1ccc(C(=O)OC)nc1-c1nc2cc(C)ncc2n1C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.34
▸ PTGER4 P35408 3/20 0.34
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ALOX5AP P20292 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ RORC P51449 3/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ SLC6A15 Q9H2J7 1/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL19767670 0.89 PTGER4 (0.32) PTGER4NPC1RAB9ARORC
SCHEMBL17967742 0.88 DDR1 (0.35) KDM4EALOX5APMAPTRORC
SCHEMBL31534710 0.88 DDR1 (0.35) KDM4EALOX5APMAPTRORC
SCHEMBL19767677 0.82 JAK1 (0.41) KDM4ERORC
SCHEMBL19767680 0.82 NPC1 (0.33) NPC1RAB9A
SCHEMBL19767672 0.81 MAPT (0.35) MAPTNPC1RAB9A
SCHEMBL19767675 0.81 CA12 (0.34) NPC1RAB9A
SCHEMBL19762754 0.81 MEN1 (0.35) KDM4EMEN1KMT2ANPC1LMNA
SCHEMBL19767659 0.81 NPC1 (0.33) NPC1RAB9A
SCHEMBL19767666 0.80 TSHR (0.34) MEN1KMT2ARORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180016273-A1 2-(HET)ARYL-SUBSTITUTED FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-01-18 — — 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-20180016273-A1 2-(HET)ARYL-SUBSTITUTED FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES CYP4B1, CYP1B1, CYP8B1 KDM4E 2049/4885PTGER4 161/4885MEN1 2151/4885

“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.

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