SCHEMBL868689

SCHEMBL868689

Cc1nn(C)c(F)c1C(=O)Nc1ccccc1[C@@H](C)CC(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PKM P14618 1/20 0.40
HTT P42858 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4C Q9H3R0 1/20 0.38
HPGD P15428 1/20 0.38
TP53 P04637 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ATM Q13315 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
NR3C1 P04150 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
SCHEMBL14364833 1.00 NPC1 (0.41) NPC1RAB9ASMN1; SMN2PKMHTT
SCHEMBL69448 1.00 NPC1 (0.41) NPC1RAB9ASMN1; SMN2PKMHTT
SCHEMBL29397907 1.00 NPC1 (0.41) NPC1RAB9ASMN1; SMN2PKMHTT
SCHEMBL30402262 1.00 NPC1 (0.41) NPC1RAB9ASMN1; SMN2PKMHTT
SCHEMBL13843936 0.90 PKM (0.42) NPC1RAB9ASMN1; SMN2PKMHTT
SCHEMBL13843948 0.90 PKM (0.39) NPC1RAB9ASMN1; SMN2PKMHTT
SCHEMBL12673228 0.90 PKM (0.50) NPC1RAB9ASMN1; SMN2PKMHTT
SCHEMBL3256078 0.89 KDM4E (0.47) NPC1RAB9ASMN1; SMN2PKMALDH1A1
SCHEMBL12742816 0.89 PKM (0.41) NPC1RAB9ASMN1; SMN2PKMHTT
SCHEMBL13843947 0.89 DHODH (0.40) NPC1RAB9ASMN1; SMN2PKMHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-121801876-B Amidase mutant and application thereof in preparation of (S) -penflufen ZHEJIANG ACADEMY OF AGRICULTURAL SCIENCES (CN) 2026-05-26 CN claimed
CN-121801876-B Amidase mutant and application thereof in preparation of (S) -penflufen ZHEJIANG ACADEMY OF AGRICULTURAL SCIENCES (CN) 2026-05-26 CN disclosed
CN-121801876-B Amidase mutant and application thereof in preparation of (S) -penflufen ZHEJIANG ACADEMY OF AGRICULTURAL SCIENCES (CN) 2026-05-26 CN disclosed
CN-121801876-B Amidase mutant and application thereof in preparation of (S) -penflufen ZHEJIANG ACADEMY OF AGRICULTURAL SCIENCES (CN) 2026-05-26 CN disclosed
CN-121801876-A Amidase mutant and application thereof in preparation of (S) -penflufen 浙江省农业科学院 2026-04-07 CN disclosed
CN-121801876-A Amidase mutant and application thereof in preparation of (S) -penflufen 浙江省农业科学院 2026-04-07 CN disclosed
US-20120077677-A1 Use of 4-phenylbutyric acid and/or salts thereof for enhancing stress tolerance in plants BAYER CROPSCIENCE AG (DE) 2012-03-29 US disclosed
US-20070276022-A1 Optically Active Carboxamides BAYER CROPSCIENCE AG (DE) 2007-11-29 US disclosed
US-20070276022-A1 Optically Active Carboxamides BAYER CROPSCIENCE AG (DE) 2007-11-29 US disclosed
US-20070276022-A1 Optically Active Carboxamides BAYER CROPSCIENCE AG (DE) 2007-11-29 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-20070276022-A1 Optically Active Carboxamides MRM1, MRPL21, RPIA NPC1 4211/4885RAB9A 1351/4885SMN1; SMN2 3322/4885
US-20120077677-A1 Use of 4-phenylbutyric acid and/or salts thereof for enhancing stress tolerance in plants PAH, ABAT, HPD NPC1 4148/4885RAB9A 2617/4885SMN1; SMN2 4797/4885

“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.