SCHEMBL4040436

SCHEMBL4040436

CN1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1

nearest known ligand 0.85

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.85
L3MBTL1 Q9Y468 1/20 0.67
KDM4E B2RXH2 1/20 0.64
KMT2A Q03164 2/20 0.61
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA7 P43166 1/20 0.61
CA9 Q16790 1/20 0.61
CA14 Q9ULX7 1/20 0.61
LMNA P02545 3/20 0.60
ALDH1A1 P00352 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
HTT P42858 2/20 0.60
MAPT P10636 1/20 0.58
MAPK1 P28482 1/20 0.58
SLC6A9 P48067 1/20 0.56
SLC6A5 Q9Y345 1/20 0.56

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
SCHEMBL530767 0.95 RXFP1 (0.79) RXFP1L3MBTL1KDM4EKMT2ACA12
SCHEMBL520448 0.90 RXFP1 (0.71) RXFP1L3MBTL1KDM4EKMT2ACA12
SCHEMBL1879807 0.88 RXFP1 (0.91) RXFP1KDM4EKMT2ACA12CA1
SCHEMBL16122105 0.85 RXFP1 (0.61) RXFP1L3MBTL1KDM4EKMT2ACA12
SCHEMBL4039721 0.84 KMT2A (0.65) RXFP1L3MBTL1KMT2ACA12CA1
SCHEMBL3086635 0.82 RXFP1 (0.81) RXFP1KDM4EKMT2ACA12CA1
SCHEMBL17465257 0.82 RXFP1 (0.57) RXFP1L3MBTL1KDM4EKMT2ACA12
SCHEMBL3093675 0.81 RXFP1 (0.79) RXFP1L3MBTL1KDM4EKMT2ACA12
SCHEMBL2378499 0.81 RXFP1 (0.73) RXFP1L3MBTL1KDM4EKMT2ACA12
SCHEMBL3093683 0.80 RXFP1 (0.77) RXFP1KDM4EKMT2ACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP disclosed
EP-1562589-B1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2009-01-07 EP disclosed
US-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 US disclosed
US-7148215-B2 Prodrugs as antihistamines or anticarcinogenic agents AVENTIS PHARMA S.A. (FR) 2006-12-12 US disclosed
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents AVENTIS PHARMA S.A, (FR) 2005-01-13 US disclosed
EP-1436291-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS Aventis Pharma S.A. (FR) 2004-07-14 EP disclosed
WO-2003024967-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA S.A. (FR) 2003-03-27 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 (2 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-20070238734-A1 JNK INHIBITORS MAP3K7, MAPKAPK2, MAPK7 RXFP1 4624/4885L3MBTL1 1498/4885KDM4E 2836/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS RXFP1 1876/4885L3MBTL1 1171/4885KDM4E 2452/4885

“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.