SCHEMBL4965838

SCHEMBL4965838

C=C(c1ccccc1Cl)N1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 5/20 0.46
MAPT P10636 4/20 0.46
MGLL Q99685 1/20 0.46
MEN1 O00255 2/20 0.45
POLB P06746 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
HPGD P15428 4/20 0.44
NPC1 O15118 1/20 0.44
GLA P06280 1/20 0.44
RAB9A P51151 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
HSD17B10 Q99714 2/20 0.42
ALOX15 P16050 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 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
SCHEMBL18544668 0.98 LMNA (0.50) KMT2ALMNAALDH1A1MAPTMGLL
SCHEMBL13663823 0.81 ALDH1A1 (0.54) KMT2ALMNAALDH1A1MAPTMGLL
SCHEMBL29209355 0.79 KMT2A (0.50) KMT2ALMNAALDH1A1MAPTMEN1
SCHEMBL4735120 0.77 HTT (0.56) KMT2ALMNAALDH1A1MAPTMEN1
SCHEMBL4962542 0.77 HPGD (0.50) KMT2ALMNAALDH1A1MAPTMEN1
SCHEMBL4171372 0.77 KMT2A (0.73) KMT2ALMNAALDH1A1MGLLMEN1
SCHEMBL5948593 0.77 NPC1 (0.49) KMT2ALMNAALDH1A1MAPTMEN1
SCHEMBL3454984 0.76 KMT2A (0.72) KMT2ALMNAALDH1A1MGLLMEN1
SCHEMBL3456393 0.76 KMT2A (0.72) KMT2ALMNAALDH1A1MGLLMEN1
SCHEMBL29944094 0.76 KMT2A (0.72) KMT2ALMNAALDH1A1MGLLMEN1

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
US-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles NYCOMED GMBH (DE) 2008-11-13 US disclosed
EP-1904454-A2 PROCESS FOR THE PRODUCTION OF INTERMADIATES FOR THE PREPARATION OF TRICYCLIC BENZIMIDAZOLES Nycomed GmbH (DE) 2008-04-02 EP disclosed
WO-2006136552-A2 PROCESS FOR THE PRODUCTION OF INTERMADIATES FOR THE PREPARATION OF TRICYCLIC BENZIMIDAZOLES NYCOMED GMBH (DE) 2006-12-28 WO disclosed
EP-1054887-B1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC (US) 2006-04-12 EP disclosed
US-6583154-B1 Neuropeptide Y antagonist; pyrrolo-(3,2-b)pyridines and pyrrolo-(3,2-d)pyrimidines AMGEN INC. 2003-06-24 US disclosed
US-6187777-B1 PYRROLO(3,2-D)PYRIMIDINE DERIVATIVES; NEUROPEPTIDE Y AND CORTICOTROPIN RELEASING FACTOR MODULATORS; DIETETICS; ANTIDIABETIC, ANTIINFLAMMATORY, AND ANTITUMOR AGENTS AMGEN INC. 2001-02-13 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 (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-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles CYP1B1, CYP1A1, CYP3A4 KMT2A 2360/4885LMNA 2133/4885ALDH1A1 76/4885

“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.