SCHEMBL406584

SCHEMBL406584

CCOC(=O)Cc1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 2/20 0.45
TSHR P16473 1/20 0.45
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.44
PSMD14 O00487 1/20 0.44
HPGD P15428 1/20 0.44
BLM P54132 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PDGFRB P09619 1/20 0.44
FGFR1 P11362 1/20 0.44
PDGFRA P16234 1/20 0.44
FLT1 P17948 1/20 0.44
FGFR3 P22607 1/20 0.44
KDR P35968 1/20 0.44
ATM Q13315 1/20 0.43
LMNA P02545 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
SCHEMBL406358 0.86 MAPT (0.51) KMT2AMEN1ALDH1A1MAPK1TSHR
SCHEMBL4993348 0.86 PDGFRB (0.56) KMT2AMEN1L3MBTL1ALDH1A1MAPK1
SCHEMBL10653486 0.85 KMT2A (0.49) KMT2AMEN1L3MBTL1ALDH1A1MAPK1
SCHEMBL28941074 0.84 EGFR (0.51) KMT2AMEN1ALDH1A1MAPK1MAPT
SCHEMBL4656411 0.84 ALDH1A1 (0.54) KMT2AMEN1L3MBTL1ALDH1A1MAPK1
SCHEMBL29500906 0.83 MEN1 (0.47) KMT2AMEN1L3MBTL1ALDH1A1MAPK1
SCHEMBL406784 0.83 MEN1 (0.47) KMT2AMEN1L3MBTL1ALDH1A1MAPK1
SCHEMBL10473975 0.83 MAPT (0.50) KMT2AMEN1ALDH1A1MAPK1MAPT
SCHEMBL2321712 0.83 MEN1 (0.48) KMT2AMEN1L3MBTL1ALDH1A1MAPT
SCHEMBL14334021 0.82 MAPT (0.56) KMT2AMEN1L3MBTL1ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107001332-B Piperidine derivatives 豪夫迈·罗氏有限公司 2020-05-15 CN disclosed
US-20190307737-A1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-10-10 US disclosed
EP-3227282-B1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-04-03 EP disclosed
US-10172843-B2 Piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2019-01-08 US disclosed
EP-3227282-A1 NOVEL PIPERIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-10-11 EP disclosed
US-20170266175-A1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-09-21 US disclosed
WO-2016087352-A1 NOVEL PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2016-06-09 WO disclosed
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
EP-0924209-B1 Hypoglycemic imidazoline compounds LILLY CO ELI (US) 2003-05-02 EP disclosed
US-20030078419-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-04-24 US disclosed
EP-1266897-A2 Hypoglycemic imidazoline compounds ELI LILLY AND COMPANY (US) 2002-12-18 EP disclosed
US-20020115656-A1 Method for treating allergies using substituted pyrazoles BUTLER CHRISTOPHER R (US) 2002-08-22 US disclosed
US-6410562-B1 ANTIDIABETIC AGENTS ELI LILLY AND COMPANY 2002-06-25 US disclosed
US-20020055497-A1 Method for treating allergies using substituted pyrazoles BUTLER CHRISTOPHER R (US) 2002-05-09 US disclosed
WO-2002020011-A2 A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-03-14 WO disclosed
WO-2002014315-A2 SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-21 WO disclosed
WO-1999032482-A1 HYPOGLYCEMIC IMIDAZOLINE COMPOUNDS ELI LILLY AND COMPANY (US) 1999-07-01 WO disclosed
EP-0924209-A1 Hypoglycemic imidazoline compounds ELI LILLY AND COMPANY (US) 1999-06-23 EP 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 (7 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-20030078419-A1 Substituted pyrazoles CTSS, CTSZ, CTSV KMT2A 4049/4885MEN1 4083/4885L3MBTL1 3414/4885
US-20190307737-A1 NOVEL PIPERIDINE DERIVATIVES ADORA1, ADRA1D, ADORA2B KMT2A 1592/4885MEN1 1741/4885L3MBTL1 3868/4885
US-20170266175-A1 NOVEL PIPERIDINE DERIVATIVES ADORA1, ADRA1D, ADORA2B KMT2A 1592/4885MEN1 1741/4885L3MBTL1 3868/4885
US-20020115656-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 KMT2A 846/4885MEN1 4466/4885L3MBTL1 4228/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 KMT2A 751/4885MEN1 667/4885L3MBTL1 3666/4885
US-20020055497-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 KMT2A 846/4885MEN1 4466/4885L3MBTL1 4228/4885
US-10172843-B2 Piperidine derivatives ADRA1D, ADORA1, ADRA1A KMT2A 1424/4885MEN1 961/4885L3MBTL1 3811/4885

“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.