SCHEMBL5102181

SCHEMBL5102181

CC(=O)CNCCc1cc(Cl)ccc1NC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
HSD17B10 Q99714 2/20 0.49
LMNA P02545 2/20 0.43
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
GRM5 P41594 1/20 0.39
HDAC1 Q13547 1/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
CNR1 P21554 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
SCHEMBL5107971 0.84 MTNR1A (0.56) KDM4EHSD17B10LMNAMTNR1AMTNR1B
SCHEMBL9119625 0.79 KDM4E (0.60) KDM4EHSD17B10LMNAHDAC1MAPT
SCHEMBL2890443 0.77 KDM4E (0.58) KDM4EHSD17B10LMNAHDAC1MAPT
SCHEMBL5101521 0.76 USP2 (0.51) KDM4EHSD17B10LMNAGRM5HDAC1
SCHEMBL5102183 0.75 KDM4E (0.49) KDM4EHSD17B10LMNAMTNR1AMTNR1B
SCHEMBL23434997 0.74 HSD17B10 (0.54) KDM4EHSD17B10LMNAHDAC1MAPT
SCHEMBL5628156 0.73 LMNA (0.57) KDM4EHSD17B10LMNAKMT2AHPGD
SCHEMBL1646158 0.72 KDM4E (0.56) KDM4EHSD17B10LMNAHDAC1MAPT
SCHEMBL3782005 0.71 KDM4E (0.68) KDM4EHSD17B10HDAC1MAPTALDH1A1
SCHEMBL977669 0.71 LMNA (0.48) KDM4EHSD17B10LMNAALDH1A1KMT2A

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 7 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
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
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 906/4885LMNA 3279/4885
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 304/4885LMNA 1208/4885

“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.