SCHEMBL530767

SCHEMBL530767

CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.79
L3MBTL1 Q9Y468 1/20 0.74
KDM4E B2RXH2 1/20 0.71
KMT2A Q03164 2/20 0.67
CA12 O43570 1/20 0.67
CA1 P00915 1/20 0.67
CA2 P00918 1/20 0.67
CA7 P43166 1/20 0.67
CA9 Q16790 1/20 0.67
CA14 Q9ULX7 1/20 0.67
ALDH1A1 P00352 3/20 0.65
LMNA P02545 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
HTT P42858 2/20 0.65
MAPT P10636 1/20 0.63
MAPK1 P28482 1/20 0.63
SLC6A9 P48067 1/20 0.61
SLC6A5 Q9Y345 1/20 0.61
MGLL Q99685 1/20 0.58

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
SCHEMBL520448 0.95 RXFP1 (0.71) RXFP1L3MBTL1KDM4EKMT2ACA12
SCHEMBL4040436 0.95 RXFP1 (0.85) RXFP1L3MBTL1KDM4EKMT2ACA12
SCHEMBL3086635 0.87 RXFP1 (0.81) RXFP1KDM4EKMT2ACA12CA1
SCHEMBL1879807 0.87 RXFP1 (0.91) RXFP1KDM4EKMT2ACA12CA1
SCHEMBL3093675 0.86 RXFP1 (0.79) RXFP1L3MBTL1KDM4EKMT2ACA12
SCHEMBL2378499 0.85 RXFP1 (0.73) RXFP1L3MBTL1KDM4EKMT2ACA12
SCHEMBL3093683 0.84 RXFP1 (0.77) RXFP1KDM4EKMT2ACA12CA1
SCHEMBL16699784 0.84 RXFP1 (0.72) RXFP1KDM4EKMT2ACA12CA1
SCHEMBL15290005 0.84 RXFP1 (0.72) RXFP1KDM4EKMT2ACA12CA1
SCHEMBL10723960 0.83 HPGD (0.68) L3MBTL1KDM4EKMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2834237-B1 HETEROCYCLYL COMPOUNDS AS MEK INHIBITORS LUPIN LTD (IN) 2018-06-06 EP disclosed
US-9969731-B2 Heterocyclyl compounds as MEK inhibitors LUPIN LIMITED (IN) 2018-05-15 US disclosed
US-9969731-B2 Heterocyclyl compounds as MEK inhibitors LUPIN LIMITED (IN) 2018-05-15 US disclosed
US-9969731-B2 Heterocyclyl compounds as MEK inhibitors LUPIN LIMITED (IN) 2018-05-15 US disclosed
US-20170101408-A1 HETEROCYCLYL COMPOUNDS AS MEK INHIBITORS LUPIN LIMITED (IN) 2017-04-13 US disclosed
US-20170101408-A1 HETEROCYCLYL COMPOUNDS AS MEK INHIBITORS LUPIN LIMITED (IN) 2017-04-13 US disclosed
US-20170101408-A1 HETEROCYCLYL COMPOUNDS AS MEK INHIBITORS LUPIN LIMITED (IN) 2017-04-13 US disclosed
US-9555035-B2 Heterocyclyl compounds as MEK inhibitors LUPIN LIMITED (IN) 2017-01-31 US disclosed
US-9555035-B2 Heterocyclyl compounds as MEK inhibitors LUPIN LIMITED (IN) 2017-01-31 US disclosed
US-9555035-B2 Heterocyclyl compounds as MEK inhibitors LUPIN LIMITED (IN) 2017-01-31 US disclosed
EP-0622361-B1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2001-10-04 EP disclosed
US-6169095-B1 FOR PREVENTION AND/OR TREATMENT OF BRADYKININ OR ITS ANALOGUES MEDIATED DISEASES IN THE EYE, SUCH AS ALLERGY, INFLAMMATION AND PAIN OF THE EYE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 US disclosed
US-5922711-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, AUTOIMMUNE DISEASES, SHOCK OR ANALGESICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-07-13 US disclosed
EP-0596406-B1 Imidazo (1,2-a) Pyridines as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 1998-12-16 EP disclosed
US-5750699-A HALOGENATING OF CORRESPONDING COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-05-12 US disclosed
US-5708173-A PREPARATION OF SUBSTITUTED QUINOLINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-13 US disclosed
US-5574042-A ANTAGONIST FOR BRADYKININS AS ANTIALLERGENS, AUTOIMMUNE DISEASES, ANTIINFLAMMATORY AGENTS, SHOCK OR PAIN FUJISAWA PHARMACEUTICAL CO., LTD (JP) 1996-11-12 US disclosed
US-5563162-A CAN BE ADMINISTERD FOR THE TREATMENT OF ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASES, SHOCK OR PAIN IN ANIMALS AND HUMANS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-08 US disclosed
EP-0622361-A1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-02 EP disclosed
EP-0596406-A1 Imidazo (1,2-a) Pyridines as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-05-11 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 (1 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-20170101408-A1 HETEROCYCLYL COMPOUNDS AS MEK INHIBITORS NRAS, BRAF, KRAS RXFP1 4859/4885L3MBTL1 4368/4885KDM4E 1098/4885

“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.