SCHEMBL5102183

SCHEMBL5102183

CC(=O)Nc1ccc(Cl)cc1CCN(C)C(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPT P10636 5/20 0.42
LMNA P02545 4/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
GRM5 P41594 1/20 0.39
HDAC1 Q13547 1/20 0.39
ALOX12 P18054 1/20 0.38
HPGD P15428 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
USP2 O75604 1/20 0.38
RAB9A P51151 2/20 0.38
FSCN1 Q16658 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
EPHX1 P07099 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL5107836 0.80 TSHR (0.46) KDM4EHSD17B10LMNAMTNR1AMTNR1B
SCHEMBL9119625 0.79 KDM4E (0.60) KDM4EHSD17B10MAPTLMNAHDAC1
SCHEMBL5107971 0.78 MTNR1A (0.56) KDM4EHSD17B10MAPTLMNAMTNR1A
SCHEMBL2890443 0.77 KDM4E (0.58) KDM4EHSD17B10MAPTLMNAHDAC1
SCHEMBL5101521 0.76 USP2 (0.51) KDM4EHSD17B10MAPTLMNAGRM5
SCHEMBL5102181 0.75 KDM4E (0.49) KDM4EHSD17B10MAPTLMNAMTNR1A
SCHEMBL23434997 0.74 HSD17B10 (0.54) KDM4EHSD17B10MAPTLMNAHDAC1
SCHEMBL1646158 0.72 KDM4E (0.56) KDM4EHSD17B10MAPTLMNAHDAC1
SCHEMBL3782005 0.71 KDM4E (0.68) KDM4EHSD17B10MAPTHDAC1HPGD
SCHEMBL18773733 0.71 AOC3 (0.56) KDM4EMAPTLMNARAB9AALDH1A1

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
US-7442795-B2 Triazole compounds useful in therapy PFIZER INC. (US) 2008-10-28 US disclosed
US-7442795-B2 Triazole compounds useful in therapy PFIZER INC. (US) 2008-10-28 US disclosed
US-7442795-B2 Triazole compounds useful in therapy PFIZER INC. (US) 2008-10-28 US disclosed
EP-1597260-B1 TRIAZOLE COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2006-12-27 EP disclosed
US-7119088-B2 Triazole compounds useful in therapy PFIZER INC. (US) 2006-10-10 US disclosed
US-20060194794-A1 Triazole compounds useful in therapy PFIZER INC 2006-08-31 US disclosed
CN-1751047-A Triazole compounds useful in therapy PFIZER (US) 2006-03-22 CN disclosed
EP-1597260-A1 TRIAZOLE COMPOUNDS USEFUL IN THERAPY Pfizer Limited (GB) 2005-11-23 EP disclosed
US-20040186091-A1 A bi-heterocycle-4H-2,3,5,10b-tetraaza-benzo[e]azulene derivatives; for therapy of dysmenorrhoea, anxiety disorder, asthma, atherosclerosis, cardiac failure, cardiovascular disease, cataract, central nervous system disease, motion sickness, Raynaud's disease, rheumatoid arthritis; chemical synthesis PFIZER INC 2004-09-23 US disclosed
WO-2004074291-A1 TRIAZOLE COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2004-09-02 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 (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-20060194794-A1 Triazole compounds useful in therapy CYP3A43, CYP3A5, CYP3A7 KDM4E 3168/4885HSD17B10 906/4885MAPT 2135/4885
US-20040186091-A1 A bi-heterocycle-4H-2,3,5,10b-tetraaza-benzo[e]azulene derivatives; for therapy of dysmenorrhoea, anxiety disorder, asthma, atherosclerosis, cardiac failure, cardiovascular disease, cataract, central nervous system disease, motion sickness, Raynaud's disease, rheumatoid arthritis; chemical synthesis CNR1, NR1H2, OXER1 KDM4E 4456/4885HSD17B10 304/4885MAPT 4486/4885

“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.