SCHEMBL6180535

SCHEMBL6180535

CCc1ccc(C(C)=O)cc1F

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.51
HSD17B1 P14061 1/20 0.47
PKM P14618 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.45
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.42
CREBBP Q92793 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42

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
SCHEMBL24329491 0.86 PKM (0.59) MAOBPKML3MBTL1POLBALDH1A1
SCHEMBL16959737 0.86 MAOB (0.41) MAOBHSD17B1ALDH1A1LMNAMAPT
SCHEMBL6181668 0.84 PKM (0.52) MAOBHSD17B1PKML3MBTL1POLB
SCHEMBL4124943 0.84 EPHX2 (0.55) L3MBTL1POLBALDH1A1LMNAMAPT
SCHEMBL31387892 0.83 MAOB (0.48) MAOBPKML3MBTL1POLBALDH1A1
SCHEMBL22491940 0.83 MAOB (0.48) MAOBPKML3MBTL1POLBALDH1A1
SCHEMBL25914488 0.82 PARP1 (0.46) MAOBCES2CES1
SCHEMBL1696329 0.82 PARP1 (0.46) MAOBCES2CES1
SCHEMBL20218906 0.82 MAOB (0.40) MAOBHSD17B1MAPTCES2CES1
SCHEMBL4123049 0.82 CES2 (0.41) MAOBALDH1A1LMNAMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11802127-B2 3,4-dihydro-2,7-naphthyridine-1,6(2H,7H)-diones as MEK inhibitors PFIZER INC. (US) 2023-10-31 US disclosed
US-11691973-B2 3,4-dihydro-2,7-naphthyridine-1,6(2H,7H)-diones as MEK inhibitors PFIZER INC. (US) 2023-07-04 US disclosed
US-20180148453-A1 DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-31 US disclosed
EP-1507530-B1 DIAMINOTHIAZOLES AND USE THEREOF AS CDK4 INHIBITORS HOFFMANN LA ROCHE (CH) 2005-11-02 EP disclosed
EP-1507530-A1 DIAMINOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2005-02-23 EP disclosed
US-6818663-B2 AS INHIBITORS OF CYCLIN-DEPENDENT KINASE 4 (CDK4); ANTIPROLIFERATIVE AGENTS; FOR THERAPY OF CANCER, TUMORS HOFFMANN-LA ROCHES 2004-11-16 US disclosed
US-20040006058-A1 DIAMINOTHIAZOLES CHU XIN-JIE (US) 2004-01-08 US disclosed
WO-2003097048-A1 DIAMINOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-27 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 (4 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-11691973-B2 3,4-dihydro-2,7-naphthyridine-1,6(2H,7H)-diones as MEK inhibitors NRAS, KRAS, MAPK1 MAOB 2638/4885HSD17B1 719/4885PKM 1584/4885
US-20180148453-A1 DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS PDE12, PDE2A, PDE4D MAOB 99/4885HSD17B1 194/4885PKM 492/4885
US-20040006058-A1 DIAMINOTHIAZOLES CDK4, CDK1, CDK2 MAOB 2219/4885HSD17B1 679/4885PKM 355/4885
US-11802127-B2 3,4-dihydro-2,7-naphthyridine-1,6(2H,7H)-diones as MEK inhibitors NRAS, KRAS, MAPK1 MAOB 2638/4885HSD17B1 719/4885PKM 1584/4885

“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.