SCHEMBL1616690

SCHEMBL1616690

[CH2]OC(=O)Nc1ccncc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.59
KDM4E B2RXH2 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
POLB P06746 1/20 0.53
TAAR1 Q96RJ0 2/20 0.52
BCHE P06276 2/20 0.51
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
JAK2 O60674 1/20 0.48
TYK2 P29597 1/20 0.48
GAA P10253 1/20 0.48
SMARCA2 P51531 1/20 0.47
SMARCA4 P51532 1/20 0.47
NT5E P21589 1/20 0.46
EPHX1 P07099 1/20 0.46
LMNA P02545 1/20 0.45
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 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
SCHEMBL1616693 0.81 MDM2 (0.61) MDM2KDM4EL3MBTL1POLBTAAR1
SCHEMBL514783 0.78 SMN1; SMN2 (0.56) KMT2AMEN1GAAEPHX1LMNA
SCHEMBL9089988 0.77 MAPT (0.54) KDM4EL3MBTL1POLBKMT2AMEN1
SCHEMBL5417314 0.76 MDM2 (0.67) MDM2KDM4EL3MBTL1TAAR1BCHE
SCHEMBL2095089 0.75 ALDH1A1 (0.55) KDM4EPOLBTAAR1KMT2AMEN1
SCHEMBL515017 0.75 MAPT (0.59) KDM4EPOLBKMT2AMEN1GAA
SCHEMBL514570 0.75 TDP1 (0.57) KDM4EPOLBLMNA
SCHEMBL2094114 0.75 NPC1 (0.55) L3MBTL1KMT2AMEN1GAAEPHX1
SCHEMBL514280 0.75 CA12 (0.45) EPHX1
SCHEMBL10020286 0.75 MDM2 (1.00) MDM2KDM4EL3MBTL1POLBTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190296-A1 Substituted Pyrrole Derivatives and Their Use as HMG-CO Inhibitors RANBAXY LABORATORIES LIMITED (IN) 2011-08-04 US disclosed
US-20110190369-A1 Substituted Pyrrole Derivatives and Their Use as HMG-CO Inhibitors RANBAXY LABORATORIES LIMITED (IN) 2011-08-04 US disclosed
EP-2319843-A1 Substituted pyrrole derivatives and their use as HMG-CO inhibitors Ranbaxy Laboratories Limited (IN) 2011-05-11 EP disclosed
US-7923467-B2 Substituted pyrrole derivatives and their use as HMG-CO inhibitors Ranbaxy Laboratories, Inc. (IN) 2011-04-12 US disclosed
US-20100056602-A1 Substituted Pyrrole Derivatives And Their Use As HMG-CO Inhibitors RANBAXY LABORATORIES LIMITED (IN) 2010-03-04 US 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-20100056602-A1 Substituted Pyrrole Derivatives And Their Use As HMG-CO Inhibitors HMGCR, HMGB2, HMGB3 MDM2 3363/4885KDM4E 870/4885L3MBTL1 4214/4885
US-20110190369-A1 Substituted Pyrrole Derivatives and Their Use as HMG-CO Inhibitors HMGCR, HMGB2, HMGB3 MDM2 3363/4885KDM4E 870/4885L3MBTL1 4214/4885
US-20110190296-A1 Substituted Pyrrole Derivatives and Their Use as HMG-CO Inhibitors HMGCR, HMGB2, HMGB3 MDM2 3363/4885KDM4E 870/4885L3MBTL1 4214/4885

“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.