SCHEMBL440238

SCHEMBL440238

COC(=O)c1cnc(OCC(F)(F)F)c(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.50
GABRA5 P31644 1/20 0.48
MAPK1 P28482 3/20 0.42
L3MBTL1 Q9Y468 4/20 0.40
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.39
LMNA P02545 1/20 0.38
PDK2 Q15119 1/20 0.38
SOS1 Q07889 1/20 0.37
CNR2 P34972 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PSMD14 O00487 1/20 0.36
ALDH1A1 P00352 2/20 0.36
PPARG P37231 1/20 0.36
MAPK10 P53779 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL30862546 1.00 NOTUM (0.50) NOTUMGABRA5MAPK1L3MBTL1KDM4E
SCHEMBL2713733 0.84 L3MBTL1 (0.41) NOTUMMAPK1L3MBTL1KDM4EATM
SCHEMBL2714175 0.84 SCN9A (0.45) NOTUMGABRA5MAPK1L3MBTL1KDM4E
SCHEMBL439221 0.84 L3MBTL1 (0.54) GABRA5MAPK1L3MBTL1ALDH1A1CNR1
SCHEMBL2713825 0.84 NOTUM (0.40) NOTUMGABRA5MAPK1L3MBTL1KDM4E
SCHEMBL2713784 0.83 L3MBTL1 (0.40) NOTUMMAPK1L3MBTL1KDM4EATM
SCHEMBL2716361 0.83 NOTUM (0.41) NOTUMMAPK1L3MBTL1KDM4EATM
SCHEMBL2715307 0.83 SCN9A (0.44) MAPK1L3MBTL1ATMLMNAPDK2
SCHEMBL2718304 0.81 NOTUM (0.40) NOTUMMAPK1L3MBTL1ATMLMNA
SCHEMBL2714070 0.81 GABRA5 (0.48) NOTUMGABRA5MAPK1L3MBTL1KDM4E

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250122172-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS DART NEUROSCIENCE LLC 2025-04-17 US disclosed
EP-4537901-A2 COMPOUNDS FOR USE IN TREATING KIDNEY DISORDERS F. Hoffmann-La Roche AG (CH) 2025-04-16 EP disclosed
EP-3826679-B1 ABCA1-INDUCING COMPOUNDS FOR USE IN TREATING KIDNEY DISORDERS HOFFMANN LA ROCHE (CH) 2024-11-27 EP disclosed
US-20230075774-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS DART NEUROSCIENCE LLC (US) 2023-03-09 US disclosed
US-11279691-B2 Substituted pyridine and pyrazine compounds as PDE4 inhibitors DART NEUROSCIENCE LLC (US) 2022-03-22 US disclosed
US-20210275514-A1 COMPOUNDS FOR USE IN TREATING KIDNEY DISORDERS HOFFMANN LA ROCHE (US) 2021-09-09 US disclosed
EP-3826679-A1 COMPOUNDS FOR USE IN TREATING KIDNEY DISORDERS F. Hoffmann-La Roche AG (CH) 2021-06-02 EP disclosed
CN-112469442-A Compounds for treating kidney disorders 豪夫迈·罗氏有限公司 2021-03-09 CN disclosed
US-20210015792-A1 OCTAHYDRO-CYCLOBUTA[1,2-c;3,4-c']DIPYRROL-2-YL HOFFMANN-LA ROCHE INC. (US) 2021-01-21 US disclosed
US-10849881-B2 Octahydro-cyclobuta[1,2-c;3,4-c′]dipyrrol-2-yl HOFFMANN-LA ROCHE INC. (US) 2020-12-01 US disclosed
US-8629166-B2 5-cycloalkyl- or 5-heterocyclyl-nicotinamides HOFFMANN-LA ROCHE INC. (US) 2014-01-14 US disclosed
EP-2630122-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2013-08-28 EP disclosed
EP-2613785-A1 HETEROARYLMETHYL AMIDES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-17 EP disclosed
WO-2013037721-A1 5-CYCLOALKYL- OR 5-HETEROCYCLYL-NICOTINAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2013-03-21 WO disclosed
WO-2013037703-A1 3 -PYRIDINE CARBOXYLIC ACID HYDRAZIDES AS HDL-CHOLESTEROL RAISING AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-21 WO disclosed
US-20130065876-A1 3-PYRIDINE CARBOXYLIC ACID HYDRAZIDES F. HOFFMANN-LA ROCHE AG (CH) 2013-03-14 US disclosed
US-20130065907-A1 5-CYCLOALKYL- OR 5-HETEROCYCLYL-NICOTINAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2013-03-14 US disclosed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 WO disclosed
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
WO-2012032018-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 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 (9 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-20130065876-A1 3-PYRIDINE CARBOXYLIC ACID HYDRAZIDES HMGCR, HCAR3, HCAR1 NOTUM 727/4885GABRA5 1585/4885MAPK1 1528/4885
US-20250122172-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4D NOTUM 4025/4885GABRA5 1000/4885MAPK1 374/4885
US-20130065907-A1 5-CYCLOALKYL- OR 5-HETEROCYCLYL-NICOTINAMIDES NNT, APOB, LDLR NOTUM 751/4885GABRA5 1544/4885MAPK1 2616/4885
US-20210275514-A1 COMPOUNDS FOR USE IN TREATING KIDNEY DISORDERS GLS, ATP6V1B1, PLAAT2 NOTUM 3652/4885GABRA5 2387/4885MAPK1 3330/4885
US-20210015792-A1 OCTAHYDRO-CYCLOBUTA[1,2-c;3,4-c']DIPYRROL-2-YL NPY1R, NPY2R, DECR1 NOTUM 4057/4885GABRA5 2096/4885MAPK1 3929/4885
US-20230075774-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4D NOTUM 4025/4885GABRA5 1000/4885MAPK1 374/4885
US-11279691-B2 Substituted pyridine and pyrazine compounds as PDE4 inhibitors PDE4A, PDE4B, PDE4D NOTUM 3994/4885GABRA5 1000/4885MAPK1 372/4885
US-20120065212-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR NOTUM 391/4885GABRA5 3402/4885MAPK1 3783/4885
US-10849881-B2 Octahydro-cyclobuta[1,2-c;3,4-c′]dipyrrol-2-yl NPY1R, NPY2R, DECR1 NOTUM 4109/4885GABRA5 2204/4885MAPK1 3913/4885

“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.