SCHEMBL20440100

SCHEMBL20440100

COc1ccc(Cl)c(CC(=O)c2ccc(F)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.53
RAB9A P51151 5/20 0.53
KMT2A Q03164 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 3/20 0.53
HTT P42858 2/20 0.53
MEN1 O00255 2/20 0.53
TP53 P04637 2/20 0.53
KDM4E B2RXH2 1/20 0.53
USP2 O75604 1/20 0.53
ALOX15 P16050 1/20 0.53
ALOX12 P18054 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TSHR P16473 1/20 0.48
AKR1C3 P42330 1/20 0.46
EPHX2 P34913 1/20 0.45
LMNA P02545 1/20 0.45
CTSD P07339 1/20 0.44
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL20440162 0.83 NPC1 (0.41) NPC1RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL4970738 0.81 RAB9A (0.50) NPC1RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL18735579 0.80 LMNA (0.47) RAB9ASMN1; SMN2HSD17B10LMNACTSD
SCHEMBL6118223 0.79 NPC1 (0.52) NPC1RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL15998638 0.78 NPC1 (0.54) NPC1RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL11696600 0.78 NPC1 (0.55) NPC1RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL480707 0.78 KDM4E (0.45) NPC1RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL473974 0.77 HSD17B10 (0.68) KMT2AMAPTMEN1KDM4EHSD17B10
SCHEMBL16836022 0.77 HSD17B10 (0.50) KDM4EHSD17B10AKR1C3CTSDALDH1A1
SCHEMBL29458589 0.77 HSD17B10 (0.68) KMT2AMAPTMEN1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3575286-B1 PYRIDONE COMPOUND AND BACTERICIDE FOR AGRICULTURAL AND HORTICULTURAL USE, WHICH USES SAID COMPOUND AS ACTIVE INGREDIENT MITSUI CHEMICALS AGRO INC (JP) 2022-05-11 EP disclosed
EP-3575286-B1 PYRIDONE COMPOUND AND BACTERICIDE FOR AGRICULTURAL AND HORTICULTURAL USE, WHICH USES SAID COMPOUND AS ACTIVE INGREDIENT MITSUI CHEMICALS AGRO INC (JP) 2022-05-11 EP disclosed
US-11051513-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-07-06 US disclosed
US-11051513-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-07-06 US disclosed
WO-2018139560-A1 PYRIDONE COMPOUND AND BACTERICIDE FOR AGRICULTURAL AND HORTICULTURAL USE, WHICH USES SAID COMPOUND AS ACTIVE INGREDIENT 三井化学アグロ株式会社 2018-08-02 WO 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-11051513-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, PDXK, CBR3 NPC1 4830/4885RAB9A 4676/4885KMT2A 1617/4885

“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.