SCHEMBL3904809

SCHEMBL3904809

O=C(O)C1(c2ccc([N+](=O)[O-])cc2)CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.64
HDAC1 Q13547 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 3/20 0.45
MAPT P10636 2/20 0.45
HTR1E P28566 1/20 0.45
S1PR3 Q99500 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP2C9 P11712 1/20 0.44
AKR1C3 P42330 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PHGDH O43175 1/20 0.43
AKR1C1 Q04828 1/20 0.42
MAP4K4 O95819 1/20 0.42
LMNA P02545 2/20 0.41

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
SCHEMBL1769201 0.89 NPSR1 (0.50) L3MBTL1HDAC1MAPK1NPSR1MAPT
SCHEMBL3224174 0.85 NPSR1 (0.55) L3MBTL1HDAC1NPSR1MAPTHTR1E
SCHEMBL3900070 0.85 AKR1C1 (0.59) L3MBTL1NPSR1MAPTHTR1ES1PR3
SCHEMBL3903075 0.82 L3MBTL1 (0.58) L3MBTL1HDAC1SMN1; SMN2MAPK1NPSR1
SCHEMBL28625648 0.82 L3MBTL1 (0.55) L3MBTL1HDAC1SMN1; SMN2MAPK1NPSR1
SCHEMBL16423511 0.82 L3MBTL1 (0.65) L3MBTL1HDAC1SMN1; SMN2MAPK1NPSR1
SCHEMBL16423615 0.79 LMNA (0.58) L3MBTL1HDAC1SMN1; SMN2MAPTALDH1A1
SCHEMBL23671577 0.79 L3MBTL1 (0.48) L3MBTL1HDAC1SMN1; SMN2MAPK1MAPT
SCHEMBL1627580 0.78 AKR1C1 (0.68) L3MBTL1HDAC1SMN1; SMN2MAPK1NPSR1
SCHEMBL166581 0.77 APP (0.50) HDAC1NPSR1MAPTALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220073485-A1 Functionalised Amine Derivatives as IL-17 Modulators UCB BIOPHARMA SRL (SOCIETE A RESPONSABILITE LIMITEE) (BE) 2022-03-10 US disclosed
EP-3894003-A1 FUNCTIONALISED AMINE DERIVATIVES AS IL-17 MODULATORS UCB Biopharma SRL (BE) 2021-10-20 EP disclosed
CN-113260418-A Functionalized amine derivatives as IL-17 modulators UCB生物制药有限责任公司 2021-08-13 CN disclosed
WO-2020120141-A1 FUNCTIONALISED AMINE DERIVATIVES AS IL-17 MODULATORS UCB Biopharma SRL (BE) 2020-06-18 WO disclosed
US-9394289-B2 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2016-07-19 US disclosed
US-9394289-B2 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2016-07-19 US disclosed
EP-2016070-B1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2016-01-13 EP disclosed
EP-2016070-B1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2016-01-13 EP disclosed
US-9187453-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-17 US disclosed
CN-101472914-B C-FMS kinase inhibitors JANSSEN PHARMACEUTICA NV 2015-05-20 CN disclosed
US-20140378457-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2014-12-25 US disclosed
US-20140378457-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2014-12-25 US disclosed
US-8859602-B2 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2014-10-14 US disclosed
US-8859602-B2 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2014-10-14 US disclosed
US-8859602-B2 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2014-10-14 US disclosed
EP-2016070-A1 INHIBITORS OF C-FMS KINASE Janssen Pharmaceutica, N.V. (BE) 2009-01-21 EP disclosed
WO-2007124319-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-01 WO disclosed
US-20070249680-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA, N.V. (BE) 2007-10-25 US disclosed
US-20070249680-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA, N.V. (BE) 2007-10-25 US disclosed
US-20070249680-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA, N.V. (BE) 2007-10-25 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 (3 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-20140378457-A1 INHIBITORS OF C-FMS KINASE MUSK, FRK, FES L3MBTL1 1001/4885HDAC1 1847/4885SMN1; SMN2 2358/4885
US-20220073485-A1 Functionalised Amine Derivatives as IL-17 Modulators IL17A, IL15, IL2 L3MBTL1 4791/4885HDAC1 286/4885SMN1; SMN2 2374/4885
US-20070249680-A1 INHIBITORS OF C-FMS KINASE MUSK, FRK, FES L3MBTL1 1001/4885HDAC1 1847/4885SMN1; SMN2 2358/4885

“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.