SCHEMBL19994223

SCHEMBL19994223

COC(=O)c1cc(C(F)(F)F)nn1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.47
▸ GRN P28799 1/20 0.47
▸ SORT1 Q99523 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ PKM P14618 1/20 0.46
▸ HDAC3 O15379 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ HDAC9 Q9UKV0 1/20 0.44
▸ HDAC5 Q9UQL6 1/20 0.44

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
SCHEMBL12612042 0.87 KDM4E (0.45) KDM4EGRNSORT1ALDH1A1CYP3A4
SCHEMBL29045409 0.85 GRN (0.67) KDM4EGRNSORT1ALDH1A1HSD17B10
SCHEMBL3711515 0.83 NPC1 (0.48) KDM4EGRNSORT1ALDH1A1CYP3A4
SCHEMBL28957395 0.82 NOTUM (0.40) KDM4EALDH1A1CYP3A4HSD17B10POLB
SCHEMBL24133713 0.81 NPC1 (0.48) KDM4EGRNSORT1ALDH1A1CYP3A4
SCHEMBL13064210 0.81 KDM4E (0.51) KDM4EGRNSORT1ALDH1A1CYP3A4
SCHEMBL17920 0.81 GRN (0.71) KDM4EGRNSORT1ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL8932269 0.79 GRN (0.69) KDM4EGRNSORT1ALDH1A1CYP3A4
SCHEMBL951323 0.79 KDM4E (0.50) KDM4EGRNSORT1ALDH1A1CYP3A4
SCHEMBL17732 0.79 KDM4E (0.50) KDM4EGRNSORT1ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230285377-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-09-14 — — US disclosed
CN-109689629-B Process for preparing 3-fluoroalkyl-5-pyrazole carboxylic acid esters and 3-fluoroalkyl-5-pyrazole carboxylic acids 拜耳作物科学股份公司 2022-11-29 — — CN disclosed
EP-3515893-B1 PROCESS FOR PREPARING 3-FLUOROALKYL-5-PYRAZOLECARBOXYLATES AND 3-FLUOROALKYL-5-PYRAZOLECARBOXYLIC ACIDS BAYER CROPSCIENCE AG (DE) 2020-10-21 — — EP disclosed
EP-3515893-B1 PROCESS FOR PREPARING 3-FLUOROALKYL-5-PYRAZOLECARBOXYLATES AND 3-FLUOROALKYL-5-PYRAZOLECARBOXYLIC ACIDS BAYER CROPSCIENCE AG (DE) 2020-10-21 — — EP disclosed
US-10556867-B2 Process for preparing 3-fluoroalkyl-5-pyrazolecarboxylates and 3-fluoroalkyl-5-pyrazolecarboxylic acids BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-11 — — US disclosed
US-10556867-B2 Process for preparing 3-fluoroalkyl-5-pyrazolecarboxylates and 3-fluoroalkyl-5-pyrazolecarboxylic acids BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-11 — — US disclosed
EP-3515893-A1 PROCESS FOR PREPARING 3-FLUOROALKYL-5-PYRAZOLECARBOXYLATES AND 3-FLUOROALKYL-5-PYRAZOLECARBOXYLIC ACIDS Bayer CropScience Aktiengesellschaft (DE) 2019-07-31 — — EP disclosed
US-20190225586-A1 PROCESS FOR PREPARING 3-FLUOROALKYL-5-PYRAZOLECARBOXYLATES AND 3-FLUOROALKYL-5-PYRAZOLECARBOXYLIC ACIDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-07-25 — — US disclosed
US-20190225586-A1 PROCESS FOR PREPARING 3-FLUOROALKYL-5-PYRAZOLECARBOXYLATES AND 3-FLUOROALKYL-5-PYRAZOLECARBOXYLIC ACIDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-07-25 — — US disclosed
WO-2018054807-A1 PROCESS FOR PREPARING 3-FLUOROALKYL-5-PYRAZOLECARBOXYLATES AND 3-FLUOROALKYL-5-PYRAZOLECARBOXYLIC ACIDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-29 — — WO disclosed
WO-2018054807-A1 PROCESS FOR PREPARING 3-FLUOROALKYL-5-PYRAZOLECARBOXYLATES AND 3-FLUOROALKYL-5-PYRAZOLECARBOXYLIC ACIDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-29 — — 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 (3 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-20230285377-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 KDM4E 1355/4885GRN 1516/4885SORT1 2256/4885
US-20190225586-A1 PROCESS FOR PREPARING 3-FLUOROALKYL-5-PYRAZOLECARBOXYLATES AND 3-FLUOROALKYL-5-PYRAZOLECARBOXYLIC ACIDS KYAT3, PFKFB3, PFKFB1 KDM4E 589/4885GRN 2469/4885SORT1 3747/4885
US-10556867-B2 Process for preparing 3-fluoroalkyl-5-pyrazolecarboxylates and 3-fluoroalkyl-5-pyrazolecarboxylic acids KYAT3, PFKFB3, PFKFB1 KDM4E 589/4885GRN 2469/4885SORT1 3747/4885

“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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