SCHEMBL4039721

SCHEMBL4039721

CN1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.65
ALDH1A1 P00352 4/20 0.65
POLB P06746 3/20 0.65
HPGD P15428 3/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
MEN1 O00255 2/20 0.63
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA7 P43166 1/20 0.60
CA9 Q16790 1/20 0.60
CA14 Q9ULX7 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
RXFP1 Q9HBX9 1/20 0.58
LMNA P02545 2/20 0.57
PKM P14618 1/20 0.55
CHKA P35790 1/20 0.54

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
SCHEMBL110101 0.94 ALDH1A1 (0.72) KMT2AALDH1A1POLBHPGDL3MBTL1
SCHEMBL4724436 0.89 KMT2A (0.75) KMT2AALDH1A1POLBHPGDMEN1
SCHEMBL1877246 0.86 KMT2A (0.80) KMT2AALDH1A1POLBHPGDMEN1
SCHEMBL9152022 0.86 CA12 (0.77) KMT2AALDH1A1POLBHPGDMEN1
SCHEMBL1590712 0.85 KMT2A (0.83) KMT2AALDH1A1POLBHPGDMEN1
SCHEMBL4040436 0.84 RXFP1 (0.85) KMT2AALDH1A1L3MBTL1CA12CA1
SCHEMBL4041594 0.82 CHRNA7 (0.64) KMT2AALDH1A1POLBMEN1CA12
SCHEMBL4002999 0.82 ALDH1A1 (0.75) KMT2AALDH1A1POLBHPGDMEN1
SCHEMBL19313021 0.82 CA12 (0.67) KMT2AALDH1A1POLBHPGDMEN1
SCHEMBL27971693 0.82 CA12 (0.70) KMT2AALDH1A1POLBHPGDMEN1

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 6 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
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 KMT2A 2686/4885ALDH1A1 3369/4885POLB 2141/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS KMT2A 1910/4885ALDH1A1 4117/4885POLB 2885/4885

“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.