SCHEMBL2115832

SCHEMBL2115832

COc1ccc(-n2ccccc2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.59
ALDH1A1 P00352 4/20 0.57
MAPT P10636 5/20 0.51
LMNA P02545 3/20 0.51
MGLL Q99685 1/20 0.48
HTT P42858 4/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.47
G6PD P11413 1/20 0.46
PKM P14618 2/20 0.45
NR1H3 Q13133 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
METAP2 P50579 1/20 0.45
GAA P10253 1/20 0.45
RECQL P46063 1/20 0.45
MEN1 O00255 1/20 0.43

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
SCHEMBL18050078 0.81 MGLL (0.54) ALDH1A1MAPTMGLLKDM4EHPGD
SCHEMBL2538880 0.81 F10 (0.43) F10ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL92819 0.78 KDM4E (0.57) F10ALDH1A1MAPTMGLLHTT
SCHEMBL31456717 0.78 CHRNB2 (0.43) F10
SCHEMBL18385809 0.77 MAPT (0.49) ALDH1A1MAPTLMNAHTTKDM4E
SCHEMBL143175 0.77 ALDH1A1 (0.54) F10ALDH1A1MAPTMGLLKDM4E
SCHEMBL16541557 0.77 MCHR1 (0.42) F10ALDH1A1
SCHEMBL7275250 0.77 ALDH1A1 (0.53) F10ALDH1A1MAPTLMNAMGLL
SCHEMBL13705836 0.77 MCHR1 (0.42) F10ALDH1A1MAPTMEN1KMT2A
SCHEMBL9529067 0.77 CYP1A2 (0.60) F10MAPTLMNAMAPK1NR1H3

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-8158652-B2 1-Difluoromethyl-5-{4-[3-(1-piperidinyl)propoxy]phenyl}-2(1H)-pyridone; compounds act as histamine-H3 receptor antagonistic substances or inverse-agonistic substances; useful as preventives or remedies for various circular system diseases, nervous system diseases, metabolic system diseases MSD K.K. (JP) 2012-04-17 US disclosed
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
US-20080269287-A1 Substituted Pyridone Derivative MSD K.K. (JP) 2008-10-30 US disclosed
EP-1820797-A1 SUBSTITUTED PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-22 EP disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
WO-2006036949-A2 PREPARATION OF N-ARYL PYRIDONES BRISTOL-MYERS SQUIBB COMPANY (US) 2006-04-06 WO disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 EP disclosed
US-20060069260-A1 Preparation of N-aryl pyridones BRISTOL-MYERS SQUIBB COMPANY 2006-03-30 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-20080269287-A1 Substituted Pyridone Derivative HRH3, HRH4, HRH1 F10 638/4885ALDH1A1 596/4885MAPT 4518/4885
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 F10 886/4885ALDH1A1 3756/4885MAPT 3841/4885
US-20060069260-A1 Preparation of N-aryl pyridones PNPO, PDXK, PLPBP F10 2972/4885ALDH1A1 1583/4885MAPT 2539/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 F10 1114/4885ALDH1A1 2837/4885MAPT 4280/4885

“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.