SCHEMBL856551

SCHEMBL856551

O=C(O)c1cc([N+](=O)[O-])cc(O)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
TDP1 Q9NUW8 3/20 0.58
MAPT P10636 3/20 0.58
ALOX15 P16050 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
MAPK1 P28482 2/20 0.58
GPR35 Q9HC97 2/20 0.58
KDM4E B2RXH2 1/20 0.58
TTR P02766 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
HPGD P15428 1/20 0.58
ALOX12 P18054 1/20 0.58
RECQL P46063 1/20 0.58
PMP22 Q01453 1/20 0.58
HIF1A Q16665 1/20 0.58
HSD17B10 Q99714 1/20 0.58
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56

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
SCHEMBL5971372 0.90 AKR1B1 (0.52) ALDH1A1TDP1MAPTALOX15MEN1
SCHEMBL20298758 0.85 ALDH1A1 (0.49) ALDH1A1TDP1MAPTALOX15MEN1
3,5-Dinitrosalicylic Acid SCHEMBL125292 0.83 ALDH1A1 (0.61) ALDH1A1TDP1MAPTALOX15MEN1
SCHEMBL27725215 0.83 GPR35 (0.56) ALDH1A1TDP1MAPTALOX15MEN1
SCHEMBL28709886 0.83 ALDH1A1 (0.57) ALDH1A1TDP1MAPTALOX15MEN1
3,5-Dinitrosalicylic Acid SCHEMBL28323234 0.83 ALDH1A1 (0.61) ALDH1A1TDP1MAPTALOX15MEN1
3,5-Dinitrosalicylic Acid SCHEMBL29350581 0.83 ALDH1A1 (0.61) ALDH1A1TDP1MAPTALOX15MEN1
SCHEMBL5628816 0.81 ALDH1A1 (0.61) ALDH1A1TDP1MAPTALOX15MEN1
SCHEMBL1877302 0.81 ALDH1A1 (0.62) ALDH1A1TDP1MAPTALOX15MEN1
3,5-Dinitrosalicylic Acid SCHEMBL20550502 0.81 GPR35 (0.59) ALDH1A1TDP1MAPTALOX15MEN1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024200864-A1 METHOD FOR THE SYNTHETIC CLEANING OF PEPTIDES WITHOUT HPLC Technische Universität Berlin (DE) 2024-10-03 WO disclosed
WO-2022022600-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2022-02-03 WO disclosed
EP-3917927-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF Betta Pharmaceuticals Co., Ltd (CN) 2021-12-08 EP disclosed
EP-3849972-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THERE OF Betta Pharmaceuticals Co., Ltd (CN) 2021-07-21 EP disclosed
WO-2020156323-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2020-08-06 WO disclosed
WO-2020052650-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THERE OF BETTA PHARMACEUTICALS CO., LTD (CN) 2020-03-19 WO disclosed
WO-2020015717-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2020-01-23 WO disclosed
US-8334304-B2 Aminosulfonyl substituted 4-(aminomethyl)-piperidine benzamides as 5HT4-antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2012-12-18 US disclosed
EP-1641783-B1 AMINOSULFONYL SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4-ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2012-03-28 EP disclosed
EP-2305254-A1 Aminosulfonyl substituted 4-(aminomethyl)-piperidine benzamides as 5HT4-antagonists for the treatment of gatrointestinal conditions Janssen Pharmaceutica NV (BE) 2011-04-06 EP disclosed
US-20060142340-A1 Hydroxycarbonylphenyl substituted 4-(aminomethyl)-piperidine benzamides as 5ht4 antagonists JANSSEN PHARMACEUTICA NV (BE) 2006-06-29 US disclosed
US-20060142339-A1 Aminosulfonyl substituted 4-(aminomethyl)-piperidine benzamides as 5ht 4-antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 US disclosed
EP-1641784-A1 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4 -ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-04-05 EP disclosed
EP-1641783-A1 AMINOSULFONYL SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4-ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-04-05 EP disclosed
EP-1641782-A1 HYDROXYCARBONYLPHENYL SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4-ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-04-05 EP disclosed
EP-1638961-A1 HETEROCYCLIC SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4-ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-29 EP disclosed
WO-2005003124-A1 HETEROCYCLIC SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4-ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-13 WO disclosed
WO-2005003121-A1 HYDROXYCARBONYLPHENYL SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4-ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-13 WO disclosed
WO-2005000838-A1 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4-ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-06 WO disclosed
WO-2005000837-A1 AMINOSULFONYL SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4-ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-06 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 (2 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-20060142340-A1 Hydroxycarbonylphenyl substituted 4-(aminomethyl)-piperidine benzamides as 5ht4 antagonists HTR4, HTR2B, HTR3B ALDH1A1 733/4885TDP1 4311/4885MAPT 4015/4885
US-20060142339-A1 Aminosulfonyl substituted 4-(aminomethyl)-piperidine benzamides as 5ht 4-antagonists HTR4, HTR2B, HTR2C ALDH1A1 1067/4885TDP1 4218/4885MAPT 4055/4885

“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.