SCHEMBL645357

SCHEMBL645357

OCc1ccc(Oc2ncccn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.59
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
APAF1 O14727 1/20 0.57
LMNA P02545 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 1/20 0.52
PLAAT3 P53816 1/20 0.45
PLAAT5 Q96KN8 1/20 0.45
PLAAT2 Q9NWW9 1/20 0.45
PLAAT4 Q9UL19 1/20 0.45
RAB9A P51151 4/20 0.44
MAPT P10636 3/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 3/20 0.42
CYSLTR1 Q9Y271 1/20 0.41
TTR P02766 1/20 0.41
CYP1A2 P05177 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
SCHEMBL9109045 0.85 MEN1 (0.53) LTA4HMEN1KMT2AAPAF1LMNA
SCHEMBL9106300 0.80 MEN1 (0.57) MEN1KMT2AAPAF1LMNASMN1; SMN2
SCHEMBL9106305 0.80 MEN1 (0.57) MEN1KMT2AAPAF1LMNASMN1; SMN2
SCHEMBL646461 0.80 MEN1 (0.57) MEN1KMT2AAPAF1LMNASMN1; SMN2
SCHEMBL3543339 0.79 LTA4H (0.58) LTA4HMEN1KMT2AALDH1A1NPC1
SCHEMBL3288907 0.79 MEN1 (0.53) LTA4HMEN1KMT2AAPAF1SMN1; SMN2
Hydrochloric Acid SCHEMBL3540123 0.78 MEN1 (0.55) MEN1KMT2AAPAF1LMNASMN1; SMN2
SCHEMBL18906057 0.78 SRD5A2 (0.57) MEN1KMT2AAPAF1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL6479245 0.78 MEN1 (0.50) LTA4HMEN1KMT2AAPAF1LMNA
Hydrochloric Acid SCHEMBL6479238 0.78 MEN1 (0.50) LTA4HMEN1KMT2AAPAF1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119563-B2 N-substituted azacycles FMC CORPORATION (US) 2012-02-21 US disclosed
US-7683070-B2 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines FMC CORPORATION (US) 2010-03-23 US disclosed
US-20090215821-A1 N-Substituted Azacycles FMC CORPORATION 2009-08-27 US disclosed
EP-1673083-A4 N-SUBSTITUTED AZACYCLES BAYER CROPSCIENCE AG (DE) 2008-12-17 EP disclosed
US-7365082-B2 N-(substituted arylmethyl)-4-(disubstituted methyl)piperidines and piperazines BAYER CROPSCIENCE AG (DE) 2008-04-29 US disclosed
US-20080090828-A1 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines BAYER CROPSCIENCE AG (DE) 2008-04-17 US disclosed
US-7300946-B2 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines BAYER CROPSCIENCE AG (DE) 2007-11-27 US disclosed
EP-1572668-A4 N-(SUBSTITUTED ARYLMETHYL)-4-(DISUBSTITUTED METHYL)PIPERIDINES AND PIPERAZINES FMC CORP (US) 2006-12-06 EP disclosed
EP-1572207-A4 N-(SUBSTITUTED ARYLMETHYL)-4-(DISUBSTITUTED METHYL) PIPERIDINES AND PYRIDINES FMC CORP (US) 2006-11-29 EP disclosed
US-20060166962-A1 N-(substituted arylmethyl)-4-(disubstituted methyl)piperidines and piperazines FMC CORPORATION 2006-07-27 US disclosed
EP-1673083-A2 N-SUBSTITUTED AZACYCLES FMC CORPORATION (US) 2006-06-28 EP disclosed
US-20060135504-A1 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines FMC CORPORATION 2006-06-22 US disclosed
EP-1572668-A2 N-(SUBSTITUTED ARYLMETHYL)-4-(DISUBSTITUTED METHYL)PIPERIDINES AND PIPERAZINES FMC CORPORATION (US) 2005-09-14 EP disclosed
EP-1572207-A1 N-(SUBSTITUTED ARYLMETHYL)-4-(DISUBSTITUTED METHYL) PIPERIDINES AND PYRIDINES FMC CORPORATION (US) 2005-09-14 EP disclosed
WO-2005036961-A2 N-SUBSTITUTED AZACYCLES FMC CORPORATION (US) 2005-04-28 WO disclosed
WO-2004060865-A2 N-(SUBSTITUTED ARYLMETHYL)-4-(DISUBSTITUTED METHYL)PIPERIDINES AND PIPERAZINES FMC CORPORATION (US) 2004-07-22 WO disclosed
WO-2004060371-A1 N-(SUBSTITUTED ARYLMETHYL)-4-(DISUBSTITUTED METHYL) PIPERIDINES AND PYRIDINES FMC CORPORATION (US) 2004-07-22 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 (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-20060166962-A1 N-(substituted arylmethyl)-4-(disubstituted methyl)piperidines and piperazines DDT, DRD4, DRD1 LTA4H 2810/4885MEN1 2452/4885KMT2A 650/4885
US-20060135504-A1 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines DDT, DRD4, QDPR LTA4H 2761/4885MEN1 2174/4885KMT2A 614/4885
US-20080090828-A1 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines DDT, DRD4, QDPR LTA4H 2699/4885MEN1 2020/4885KMT2A 780/4885
US-20090215821-A1 N-Substituted Azacycles DDT, UQCRB, DNMT1 LTA4H 3599/4885MEN1 822/4885KMT2A 1219/4885

“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.