SCHEMBL2852935

SCHEMBL2852935

COP(=O)(CC(=O)Cc1cccc([N+](=O)[O-])c1)OC

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
MAOB P27338 2/20 0.47
MAOA P21397 1/20 0.47
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
SIGMAR1 Q99720 1/20 0.45
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
HTT P42858 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GRM8 O00222 1/20 0.44
GRM6 O15303 1/20 0.44
GRM4 Q14833 1/20 0.44

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
SCHEMBL2852943 0.82 NPSR1 (0.46) TSHRMAOBMAOARAB9AALDH1A1
SCHEMBL6264197 0.80 CTBP2 (0.47) MAOBALDH1A1KMT2AL3MBTL1
SCHEMBL4923172 0.80 TSHR (0.56) TSHRMAOBMAOAALDH1A1MEN1
SCHEMBL568614 0.80 TSHR (0.56) TSHRMAOBMAOAALDH1A1MEN1
SCHEMBL520733 0.80 MEN1 (0.58) TSHRMAOBMAOARAB9AALDH1A1
SCHEMBL1401061 0.79 SLC7A5 (0.39) MAOBRAB9AALDH1A1MEN1KMT2A
SCHEMBL1036997 0.79 CTBP2 (0.47) TSHRMAOBMAOAALDH1A1MEN1
SCHEMBL4987439 0.79 CYP1A2 (0.43) MAOBMAOACYP2D6CYP2C19
SCHEMBL4990438 0.79 VNN1 (0.42) MAOBMAOAMEN1KMT2A
SCHEMBL28977512 0.78 ALDH1A1 (0.64) TSHRRAB9AALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101921220-B Pharmaceutical compositions for treating diseases with bone mass loss having EP4 agonist as the active ingredient ONO PHARMACEUTICAL CO 2013-05-22 CN disclosed
US-20120202773-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OF DISEASES ASSOCIATED WITH DECREASE IN BONE MASS COMPRISING EP4 AGONIST AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2012-08-09 US disclosed
US-8207223-B2 Pharmaceutical composition for treatment of diseases associated with decrease in bone mass comprising EP4 agonist as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2012-06-26 US disclosed
CN-101921220-A Treat the EP that contains with the bone mass loss diseases associated 4Agonist is as the pharmaceutical composition of activeconstituents ONO PHARMACEUTICAL CO 2010-12-22 CN disclosed
EP-2255829-A2 Pharmaceutical composition for treatment of diseases associated with decrease in bone mass comprising EP4 agonist as active ingredient Ono Pharmaceutical Co., Ltd. (JP) 2010-12-01 EP disclosed
US-20100010222-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OF DISEASES ASSOCIATED WITH DECREASE IN BONE MASS COMPRISING EP4 AGONIST AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2010-01-14 US disclosed
US-7608637-B2 Pharmaceutical composition for treatment of diseases associated with decrease in bone mass comprising EP4 agonist as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2009-10-27 US disclosed
US-20050020686-A1 Remedies for diseases with bone mass loss having ep4 agonist as the active ingredient ONO PHARMACEUTICAL CO. LTD. (JP) 2005-01-27 US disclosed
EP-1417975-A1 REMEDIES FOR DISEASES WITH BONE MASS LOSS HAVING EP sb 4 /sb AGONIST AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-05-12 EP 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 (3 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-20120202773-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OF DISEASES ASSOCIATED WITH DECREASE IN BONE MASS COMPRISING EP4 AGONIST AS ACTIVE INGREDIENT PTGER4, PTGER1, PTGER2 TSHR 2597/4885MAOB 3794/4885MAOA 3731/4885
US-20050020686-A1 Remedies for diseases with bone mass loss having ep4 agonist as the active ingredient PTGER4, PTGER1, PTGER3 TSHR 2732/4885MAOB 3482/4885MAOA 3268/4885
US-20100010222-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OF DISEASES ASSOCIATED WITH DECREASE IN BONE MASS COMPRISING EP4 AGONIST AS ACTIVE INGREDIENT PTGER4, PTGER1, PTGER2 TSHR 2597/4885MAOB 3794/4885MAOA 3731/4885

“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.