SCHEMBL246222

SCHEMBL246222

O=C(O)CCC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)CC1c1ccc(Br)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.65
▸ L3MBTL1 Q9Y468 2/20 0.65
▸ RNF114 Q9Y508 1/20 0.61
▸ YAP1 P46937 1/20 0.56
▸ TEAD4 Q15561 1/20 0.56
▸ PKM P14618 1/20 0.56
▸ EGFR P00533 1/20 0.54
▸ ACHE P22303 1/20 0.53
▸ GRIN2D O15399 1/20 0.52
▸ GRIN2A Q12879 1/20 0.52
▸ GRIN2B Q13224 1/20 0.52
▸ GRIN2C Q14957 1/20 0.52

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
SCHEMBL16938347 0.85 MEN1 (0.68) L3MBTL1RNF114YAP1TEAD4ACHE
SCHEMBL14665712 0.81 RNF114 (0.60) L3MBTL1RNF114YAP1TEAD4ACHE
SCHEMBL14541216 0.80 CACNA1H (0.67) ALDH1A1EGFRACHE
SCHEMBL10050566 0.80 EGFR (0.64) L3MBTL1RNF114YAP1TEAD4EGFR
SCHEMBL31574504 0.79 MEN1 (0.59) L3MBTL1RNF114YAP1TEAD4ACHE
SCHEMBL10074852 0.78 POLB (0.68) ALDH1A1L3MBTL1RNF114
SCHEMBL12857571 0.78 YAP1 (0.74) L3MBTL1YAP1TEAD4
SCHEMBL25372299 0.76 ALDH1A1 (0.63) ALDH1A1PKMEGFR
SCHEMBL25372296 0.76 ALDH1A1 (0.63) ALDH1A1PKMEGFR
SCHEMBL14540876 0.74 MAPT (0.73) ALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2716285-B9 Compounds for treating and/or preventing diseases associated with bone loss CENTRE NAT DE LA RECH SCIENT -CNRS- (FR) 2017-03-01 — — EP claimed
EP-2716285-B1 Compounds for treating and/or preventing diseases associated with bone loss CENTRE NAT RECH SCIENT (FR) 2016-04-27 — — EP claimed
JP-2012500393-A — — 2012-01-05 — — JP claimed
US-20110212974-A1 METHOD FOR IDENTIFYING COMPOUNDS USEFUL FOR TREATING AND/OR PREVENTING DISEASE-ASSOCIATED BONE LOSS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) 2011-09-01 — — US claimed
EP-2331967-A2 NEW METHOD FOR IDENTIFYING COMPOUNDS USEFUL FOR TREATING AND/OR PREVENTING DISEASES ASSOCIATED WITH BONE LOSS Centre National de la Recherche Scientifique (C.N.R.S) (FR) 2011-06-15 — — EP claimed
WO-2010020647-A2 NEW METHOD FOR IDENTIFYING COMPOUNDS USEFUL FOR TREATING AND/OR PREVENTING DISEASE-ASSOCIATED BONE LOSS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-02-25 — — WO claimed
EP-2716285-B9 Compounds for treating and/or preventing diseases associated with bone loss CENTRE NAT DE LA RECH SCIENT -CNRS- (FR) 2017-03-01 — — EP disclosed
EP-2716285-B1 Compounds for treating and/or preventing diseases associated with bone loss CENTRE NAT RECH SCIENT (FR) 2016-04-27 — — EP disclosed
EP-2331967-B1 NEW METHOD FOR IDENTIFYING COMPOUNDS USEFUL FOR TREATING AND/OR PREVENTING DISEASES ASSOCIATED WITH BONE LOSS CENTRE NAT RECH SCIENT (FR) 2015-11-04 — — EP disclosed
US-9091678-B2 Method for identifying compounds useful for treating and/or preventing disease-associated bone loss CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2015-07-28 — — US disclosed
US-9091678-B2 Method for identifying compounds useful for treating and/or preventing disease-associated bone loss CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2015-07-28 — — US disclosed
US-20110212974-A1 METHOD FOR IDENTIFYING COMPOUNDS USEFUL FOR TREATING AND/OR PREVENTING DISEASE-ASSOCIATED BONE LOSS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) 2011-09-01 — — US disclosed
US-20110212974-A1 METHOD FOR IDENTIFYING COMPOUNDS USEFUL FOR TREATING AND/OR PREVENTING DISEASE-ASSOCIATED BONE LOSS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) 2011-09-01 — — US disclosed
EP-2331967-A2 NEW METHOD FOR IDENTIFYING COMPOUNDS USEFUL FOR TREATING AND/OR PREVENTING DISEASES ASSOCIATED WITH BONE LOSS Centre National de la Recherche Scientifique (C.N.R.S) (FR) 2011-06-15 — — EP disclosed
WO-2010020647-A2 NEW METHOD FOR IDENTIFYING COMPOUNDS USEFUL FOR TREATING AND/OR PREVENTING DISEASE-ASSOCIATED BONE LOSS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-02-25 — — 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 (1 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-20110212974-A1 METHOD FOR IDENTIFYING COMPOUNDS USEFUL FOR TREATING AND/OR PREVENTING DISEASE-ASSOCIATED BONE LOSS DOCK5, ARHGDIB, ARHGDIA ALDH1A1 3992/4885L3MBTL1 1821/4885RNF114 3542/4885

“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.

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