SCHEMBL6042142

SCHEMBL6042142

O=c1cc(-c2cc[nH]c(=O)c2)cc[nH]1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.77
MAP4K4 O95819 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
FKBP5 Q13451 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
CRBN Q96SW2 1/20 0.42
ALDH2 P05091 6/20 0.41
MAPT P10636 1/20 0.40
NSD2 O96028 1/20 0.39
ABL1 P00519 1/20 0.39
PPARG P37231 1/20 0.39
RIN1 Q13671 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
MAPK13 O15264 2/20 0.39
MAPK12 P53778 2/20 0.39
MAPK11 Q15759 2/20 0.39
MAPK14 Q16539 2/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL1136802 0.88 NOTUM (1.00) NOTUMMAP4K4HDAC6FKBP5ALDH2
SCHEMBL6042144 0.84 NOTUM (0.64) NOTUMMAP4K4HDAC6PDE3BPDE3A
SCHEMBL94548 0.84 NOTUM (0.64) NOTUMMAP4K4HDAC6PDE3BPDE3A
SCHEMBL4231200 0.84 NOTUM (0.64) NOTUMMAP4K4HDAC6ALDH2MAPT
SCHEMBL3901501 0.84 NOTUM (0.64) NOTUMMAP4K4HDAC6ALDH2TP53
SCHEMBL20532002 0.84 NOTUM (0.59) NOTUMMAP4K4HDAC6FKBP5PDE3B
SCHEMBL3476831 0.84 NOTUM (0.64) NOTUMMAP4K4ALDH2MAPT
SCHEMBL18656032 0.81 NOTUM (0.66) NOTUMPDE3BPDE3AALDH2MAPT
SCHEMBL2876314 0.81 NOTUM (0.66) NOTUMMAP4K4PDE3BPDE3ANSD2
SCHEMBL28296090 0.81 NOTUM (0.55) NOTUMMAP4K4HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180296543-A1 THERAPEUTIC COMPOUNDS CELGENE QUANTICEL RESEARCH, INC. 2018-10-18 US claimed
US-11020380-B2 Therapeutic compounds CELGENE QUANTICEL RESEARCH, INC. (US) 2021-06-01 US disclosed
US-20200163946-A1 THERAPEUTIC COMPOUNDS CELGENE QUANTICEL RESEARCH, INC. (US) 2020-05-28 US disclosed
US-10617680-B2 Therapeutic compounds CELGENE QUANTICEL RESEARCH, INC. (US) 2020-04-14 US disclosed
US-20180296543-A1 THERAPEUTIC COMPOUNDS CELGENE QUANTICEL RESEARCH, INC. 2018-10-18 US disclosed
US-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 US disclosed
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 US disclosed
EP-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 EP disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 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 (5 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-11020380-B2 Therapeutic compounds EP300, BRD4, BRD3 NOTUM 3783/4885MAP4K4 1086/4885HDAC6 43/4885
US-20200163946-A1 THERAPEUTIC COMPOUNDS EP300, BRD4, BRD3 NOTUM 3783/4885MAP4K4 1086/4885HDAC6 43/4885
US-20180296543-A1 THERAPEUTIC COMPOUNDS EP300, BRD4, BRD3 NOTUM 3783/4885MAP4K4 1086/4885HDAC6 43/4885
US-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 NOTUM 997/4885MAP4K4 4722/4885HDAC6 439/4885
US-10617680-B2 Therapeutic compounds EP300, BRD4, BRD3 NOTUM 3783/4885MAP4K4 1086/4885HDAC6 43/4885

“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.