SCHEMBL4810132

SCHEMBL4810132

O=C(O)c1nc2ccc(O)c([N+](=O)[O-])c2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.40
APEX1 P27695 1/20 0.38
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
GPR35 Q9HC97 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALPL P05186 1/20 0.34
POLB P06746 1/20 0.34
ALPI P09923 1/20 0.34
GFER P55789 1/20 0.34

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
SCHEMBL7477486 0.80 ALDH1A1 (0.40) MEN1KMT2AKDM4EMAPTHPGD
SCHEMBL4812782 0.77 PIN1 (0.37) PIN1APEX1MEN1KMT2AKDM4E
SCHEMBL7471308 0.75 MEN1 (0.39) MEN1KMT2AKDM4EMAPTHPGD
SCHEMBL4810319 0.73 HTT (0.53) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7647 0.71 PIN1 (0.42) PIN1KMT2AKDM4EMAPTHPGD
SCHEMBL3640534 0.69 ALDH1A1 (0.61) PIN1MEN1KMT2AKDM4EMAPT
SCHEMBL3935171 0.69 ALDH1A1 (0.61) PIN1MEN1KMT2AKDM4EMAPT
SCHEMBL3035932 0.69 ALDH1A1 (0.52) PIN1MEN1KMT2AMAPTCASP3
SCHEMBL31024210 0.67 PIN1 (0.53) PIN1KDM4EMAPTHPGDESR2
SCHEMBL27770202 0.67 PIN1 (0.45) PIN1MEN1KMT2AKDM4EESR2

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 10 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

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 PIN1 3851/4885APEX1 4540/4885MEN1 2735/4885
US-20050113360-A1 Amide derivatives as NMDA receptor antagonists GRIN1, GRIN3A, GRIN2B PIN1 3023/4885APEX1 4328/4885MEN1 3002/4885
US-20050159451-A1 Amide derivatives as NMDA receptor antagonists GRIN1, GRIN3A, GRIN2B PIN1 3190/4885APEX1 4404/4885MEN1 2664/4885
US-20050113359-A1 Amide derivatives as NMDA receptor antagonists GRIN1, GRIN3A, GRIN2B PIN1 3970/4885APEX1 4562/4885MEN1 2684/4885
US-20030199552-A1 Amide derivatives as NMDA receptor antagonists GRIN1, GRIN3A, GRIN2C PIN1 4306/4885APEX1 3110/4885MEN1 4425/4885

“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.