SCHEMBL4808738

SCHEMBL4808738

O=C(O)c1cc2cc3oc(=O)[nH]c3cc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.46
PIM1 P11309 7/20 0.45
CSNK2A1 P68400 4/20 0.45
CSNK2A2 P19784 3/20 0.45
CSNK2B P67870 3/20 0.45
CSNK2A3 Q8NEV1 3/20 0.45
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
PIM2 Q9P1W9 2/20 0.42
NOS1 P29475 4/20 0.40
NOS3 P29474 3/20 0.40
NOS2 P35228 3/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
CREBBP Q92793 1/20 0.40
CYP1A2 P05177 1/20 0.40
ADRA2A P08913 1/20 0.40
TSHR P16473 1/20 0.40
THPO P40225 1/20 0.40
BLM P54132 1/20 0.40

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
SCHEMBL4808744 0.79 KDM4E (0.47) KDM4EALDH1A1NOS1NOS3NOS2
SCHEMBL4811978 0.74 GPR35 (0.53) KMOKDM4EALDH1A1NOS1NOS3
SCHEMBL6239973 0.70 PIM1 (0.60) PIM1CSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL30295627 0.70 KMO (0.68) KMOKDM4EALDH1A1NOS1NOS3
SCHEMBL9424948 0.70 PIM1 (0.55) PIM1CSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL19833949 0.69 KMO (0.47) KMOKDM4EALDH1A1NOS1NOS3
SCHEMBL4516516 0.69 KDM4E (0.50) KMOKDM4EALDH1A1LMNACYP1A2
SCHEMBL4310530 0.68 PIM1 (0.53) PIM1CSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL11746037 0.68 PIM1 (0.53) PIM1CSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL1421351 0.68 NOS1 (0.56) KMOKDM4EALDH1A1NOS1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378431-B2 Amide derivatives as NMDA receptor antagonists RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2008-05-27 US disclosed
US-7375116-B2 Amide derivatives as NMDA receptor antagonists RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2008-05-20 US disclosed
US-7365083-B2 Amide derivatives as NMDA receptor antagonists RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2008-04-29 US disclosed
US-7361670-B2 Amide derivatives as NMDA receptor antagonists RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2008-04-22 US disclosed
US-20050159451-A1 Amide derivatives as NMDA receptor antagonists HORVATH CSILLA (HU) 2005-07-21 US disclosed
US-6919355-B2 Amide derivatives as NMDA receptor antagonists RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2005-07-19 US disclosed
US-20050113359-A1 Amide derivatives as NMDA receptor antagonists HORVATH CSILLA (HU) 2005-05-26 US disclosed
US-20050113361-A1 Amide derivatives as NMDA receptor antagonists HORVATH CSILLA (HU) 2005-05-26 US disclosed
US-20050113360-A1 Amide derivatives as NMDA receptor antagonists HORVATH CSILLA (HU) 2005-05-26 US disclosed
US-20030199552-A1 Amide derivatives as NMDA receptor antagonists RICHTER GEDEON VEGYESZETI GYAR RT. 2003-10-23 US disclosed
EP-1328514-A1 AMIDE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 2003-07-23 EP disclosed
WO-2002034718-A1 AMIDE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2002-05-02 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 (5 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-20050113361-A1 Amide derivatives as NMDA receptor antagonists GRIN1, GRIN3A, GRIN2B KMO 308/4885PIM1 4450/4885CSNK2A1 1163/4885
US-20050113360-A1 Amide derivatives as NMDA receptor antagonists GRIN1, GRIN3A, GRIN2B KMO 244/4885PIM1 3612/4885CSNK2A1 812/4885
US-20050159451-A1 Amide derivatives as NMDA receptor antagonists GRIN1, GRIN3A, GRIN2B KMO 234/4885PIM1 3349/4885CSNK2A1 780/4885
US-20050113359-A1 Amide derivatives as NMDA receptor antagonists GRIN1, GRIN3A, GRIN2B KMO 331/4885PIM1 4408/4885CSNK2A1 1100/4885
US-20030199552-A1 Amide derivatives as NMDA receptor antagonists GRIN1, GRIN3A, GRIN2C KMO 248/4885PIM1 3470/4885CSNK2A1 754/4885

“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.