SCHEMBL2852943

SCHEMBL2852943

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.46
SIGMAR1 Q99720 2/20 0.44
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
GRM8 O00222 1/20 0.43
GRM6 O15303 1/20 0.43
GRM4 Q14833 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 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
SCHEMBL4923182 0.84 GRM8 (0.51) NPSR1MEN1KMT2AMAOBMAOA
SCHEMBL2852935 0.82 TSHR (0.48) MEN1KMT2AHTTSIGMAR1MAOB
SCHEMBL1401065 0.81 CETP (0.39) MAOBRAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL1036999 0.80 CTBP2 (0.43) MEN1KMT2AMAOBMAOAALDH1A1
SCHEMBL4990445 0.80 VNN1 (0.40) MAOBMAOA
SCHEMBL4991460 0.80 MAOB (0.39) MAOBRAB9AALDH1A1MAPTCYP2D6
SCHEMBL2208952 0.79 CETP (0.48) NPSR1TSHRALDH1A1GAATDP1
SCHEMBL568614 0.79 TSHR (0.56) MEN1KMT2ASIGMAR1MAOBMAOA
SCHEMBL4987008 0.79 GGPS1 (0.44) GAASMN1; SMN2
SCHEMBL6984479 0.79 KMT2A (0.57) NPSR1MEN1KMT2AHTTTSHR

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-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
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 NPSR1 1332/4885MEN1 1320/4885KMT2A 4210/4885
US-20050020686-A1 Remedies for diseases with bone mass loss having ep4 agonist as the active ingredient PTGER4, PTGER1, PTGER3 NPSR1 1095/4885MEN1 1577/4885KMT2A 3491/4885
US-20100010222-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OF DISEASES ASSOCIATED WITH DECREASE IN BONE MASS COMPRISING EP4 AGONIST AS ACTIVE INGREDIENT PTGER4, PTGER1, PTGER2 NPSR1 1332/4885MEN1 1320/4885KMT2A 4210/4885

“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.