SCHEMBL4651601

SCHEMBL4651601

Nc1cc(NCCc2c[nH]c3ccccc23)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.79
PKM P14618 3/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
MAPT P10636 3/20 0.67
LMNA P02545 2/20 0.67
MAPK1 P28482 1/20 0.67
HTT P42858 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
PKLR P30613 1/20 0.52
GPR84 Q9NQS5 1/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
MC5R P33032 1/20 0.49
MC3R P41968 1/20 0.49
MC1R Q01726 1/20 0.49

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
SCHEMBL26979046 0.89 CDK2 (1.00) CDK2PKMMEN1KMT2AMAPT
SCHEMBL4652603 0.86 CDK2 (0.61) CDK2PKMMEN1KMT2AMAPT
SCHEMBL2243271 0.84 MAPT (0.71) CDK2PKMMEN1KMT2AMAPT
SCHEMBL4652444 0.84 CDK2 (0.74) CDK2PKMMEN1KMT2AMAPT
SCHEMBL2243473 0.83 MEN1 (0.72) CDK2PKMMEN1KMT2AMAPT
SCHEMBL8222876 0.83 PKM (0.72) CDK2PKMMEN1KMT2AMAPT
SCHEMBL6408868 0.83 HTR2A (0.61) CDK2MEN1KMT2AMAPTNPSR1
SCHEMBL2243629 0.81 CDK2 (0.71) CDK2PKMMEN1KMT2AMAPT
SCHEMBL18531470 0.80 MAPT (0.64) CDK2PKMMEN1KMT2AMAPT
SCHEMBL18531434 0.78 CDK2 (0.68) CDK2PKMMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100518735-C Derivatives of tryptamine and analogous compounds, and pharmaceutical formulations containing them NEURIM PHARMA 1991 (IL) 2009-07-29 CN claimed
CN-1582147-A Tryptamine derivatives and analogues and pharmaceutical compositions containing them NEURIM PHARMA 1991 (IL) 2005-02-16 CN claimed
EP-1331935-A4 DERIVATIVES OF TRYPTAMINE AND ANALOGOUS COMPOUNDS, AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM NEURIM PHARMA 1991 (IL) 2004-12-01 EP claimed
US-6780884-B2 NOVEL COMPOUNDS RELATED TO MELATONIN, BUT WITH PHARMACOLOGICAL OR PHARMACOKINETIC PROFILES DIFFERENT FROM MELATONIN NEURIM PHARMACEUTICALS (1991) LTD. (IL) 2004-08-24 US claimed
US-20040029950-A1 Derivating of tryptamine and analogous componds and pharmaceutical formulations containing them NEURIM PHARMACEUTICALS (1991) LTD. (IL) 2004-02-12 US claimed
EP-1331935-A2 DERIVATIVES OF TRYPTAMINE AND ANALOGOUS COMPOUNDS, AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM NEURIM PHARMACEUTICALS (1991) LIMITED (IL) 2003-08-06 EP claimed
WO-2002028347-A2 DERIVATIVES OF TRYPTAMINE AND ANALOGOUS COMPOUNDS, AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM NEURIM PHARMACEUTICALS (1991) LTD. (IL) 2002-04-11 WO claimed
CN-100518735-C Derivatives of tryptamine and analogous compounds, and pharmaceutical formulations containing them NEURIM PHARMA 1991 (IL) 2009-07-29 CN disclosed
EP-1331935-B1 DERIVATIVES OF TRYPTAMINE AND ANALOGOUS COMPOUNDS, AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM NEURIM PHARMA 1991 (IL) 2008-10-01 EP disclosed
CN-1582147-A Tryptamine derivatives and analogues and pharmaceutical compositions containing them NEURIM PHARMA 1991 (IL) 2005-02-16 CN disclosed
US-20050020664-A1 Derivatives of tryptamine and analogous compounds, and pharmaceutical formulations containing them NEURIM PHARMACEUTICALS (1991) LTD. (IL) 2005-01-27 US disclosed
EP-1331935-A4 DERIVATIVES OF TRYPTAMINE AND ANALOGOUS COMPOUNDS, AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM NEURIM PHARMA 1991 (IL) 2004-12-01 EP disclosed
US-6780884-B2 NOVEL COMPOUNDS RELATED TO MELATONIN, BUT WITH PHARMACOLOGICAL OR PHARMACOKINETIC PROFILES DIFFERENT FROM MELATONIN NEURIM PHARMACEUTICALS (1991) LTD. (IL) 2004-08-24 US disclosed
US-20040029950-A1 Derivating of tryptamine and analogous componds and pharmaceutical formulations containing them NEURIM PHARMACEUTICALS (1991) LTD. (IL) 2004-02-12 US disclosed
EP-1331935-A2 DERIVATIVES OF TRYPTAMINE AND ANALOGOUS COMPOUNDS, AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM NEURIM PHARMACEUTICALS (1991) LIMITED (IL) 2003-08-06 EP disclosed
WO-2002028347-A2 DERIVATIVES OF TRYPTAMINE AND ANALOGOUS COMPOUNDS, AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM NEURIM PHARMACEUTICALS (1991) LTD. (IL) 2002-04-11 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-20050020664-A1 Derivatives of tryptamine and analogous compounds, and pharmaceutical formulations containing them TPH1, TPH2, TPSB2 CDK2 335/4885PKM 785/4885MEN1 50/4885
US-20040029950-A1 Derivating of tryptamine and analogous componds and pharmaceutical formulations containing them TPH2, TPH1, TPSD1 CDK2 66/4885PKM 140/4885MEN1 306/4885

“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.