SCHEMBL855371

SCHEMBL855371

Nc1cc(O)c(O)c(C(=O)O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.63
KDM4E B2RXH2 6/20 0.63
MAPT P10636 5/20 0.63
CYP3A4 P08684 2/20 0.63
GAA P10253 2/20 0.63
ESR2 Q92731 1/20 0.63
PTPN1 P18031 1/20 0.63
TDP1 Q9NUW8 7/20 0.58
HSD17B10 Q99714 3/20 0.58
CASP7 P55210 3/20 0.58
CASP1 P29466 2/20 0.58
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
THRB P10828 3/20 0.57
RECQL P46063 2/20 0.57
HPGD P15428 2/20 0.57
TNF P01375 1/20 0.57
HSPD1 P10809 1/20 0.57
CYP2C9 P11712 1/20 0.57
ALOX15 P16050 1/20 0.57

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
SCHEMBL17774713 0.88 ALDH1A1 (0.64) ALDH1A1KDM4EMAPTCYP3A4GAA
SCHEMBL12640736 0.83 TDP1 (0.55) ALDH1A1KDM4EMAPTCYP3A4GAA
SCHEMBL2192034 0.82 TDP1 (0.63) ALDH1A1KDM4EMAPTCYP3A4GAA
SCHEMBL12640756 0.82 KDM4E (0.57) ALDH1A1KDM4EMAPTCYP3A4GAA
SCHEMBL29402442 0.82 TDP1 (0.63) ALDH1A1KDM4EMAPTCYP3A4GAA
SCHEMBL11586539 0.78 AKR1C3 (0.64) ALDH1A1KDM4EMAPTCYP3A4GAA
SCHEMBL11589938 0.78 AKR1C2 (0.64) ALDH1A1KDM4EMAPTCYP3A4GAA
SCHEMBL12640833 0.78 KDM4E (0.53) ALDH1A1KDM4EMAPTCYP3A4GAA
SCHEMBL9039800 0.78 KDM4E (0.68) ALDH1A1KDM4EMAPTCYP3A4GAA
SCHEMBL29581860 0.78 HMGB1 (0.58) ALDH1A1KDM4EMAPTCYP3A4GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116120396-A Polypeptide and application thereof in preparation of preservative 华南协同创新研究院 2023-05-16 CN 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-20100087483-A1 Aminosulfonyl Substituted 4-(Aminomethyl)-Piperidine Benzamides As 5HT 4-Antagonists BOSMANS JEAN-PAUL RENE MARIE ANDRE 2010-04-08 US disclosed
US-7652040-B2 gastrointestinal disorders hypermotility, irritable bowel syndrome, constipation or diarrhea JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-26 US disclosed
US-7638535-B2 (3S)-trans)-8-methyl-3,4-dihydro-2H-benzo[b][1,4]dioxepine-6-carboxylic acid [3-hydroxy-1-(3-methoxy-propyl)-piperidin-4-ylmethyl]-amide; hypermotility, irritable bowel syndrome, constipation or diarrhea predominant IDS, pain and non-pain predominant IBS and bowel hypersensitivity JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-29 US disclosed
EP-1641784-B1 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4 -ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2007-06-13 EP disclosed
US-20060281753-A1 4-(Aminomethyl)-piperidine benzamides as 5ht4 - antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-14 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
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
US-20030109682-A1 Maytansines and maytansine conjugates SANTI DANIEL (US) 2003-06-12 US disclosed
US-5840966-A Hydroxylation of salicylic acid derivatives MINISTER OF HEALTH AND WELFARE (CA) 1998-11-24 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 (4 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-20060142339-A1 Aminosulfonyl substituted 4-(aminomethyl)-piperidine benzamides as 5ht 4-antagonists HTR4, HTR2B, HTR2C ALDH1A1 1067/4885KDM4E 199/4885MAPT 4055/4885
US-20030109682-A1 Maytansines and maytansine conjugates AREG, HDGF, GHITM ALDH1A1 505/4885KDM4E 3609/4885MAPT 3855/4885
US-20100087483-A1 Aminosulfonyl Substituted 4-(Aminomethyl)-Piperidine Benzamides As 5HT 4-Antagonists HTR4, HTR2B, HTR2C ALDH1A1 1067/4885KDM4E 199/4885MAPT 4055/4885
US-20060281753-A1 4-(Aminomethyl)-piperidine benzamides as 5ht4 - antagonists HTR4, HTR2B, HTR5A ALDH1A1 828/4885KDM4E 348/4885MAPT 3447/4885

“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.