SCHEMBL1775216

SCHEMBL1775216

O=C(NCCCn1ccnc1)c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.82
NPC1 O15118 1/20 0.82
POLB P06746 1/20 0.74
KMT2A Q03164 2/20 0.73
MEN1 O00255 1/20 0.73
ALDH1A1 P00352 1/20 0.70
MAPT P10636 1/20 0.70
TSHR P16473 1/20 0.70
KDM4E B2RXH2 1/20 0.68
HTT P42858 1/20 0.68
NAMPT P43490 2/20 0.68
CYP1A2 P05177 1/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2D6 P10635 1/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68

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
SCHEMBL27557737 0.95 NPC1 (0.74) SMN1; SMN2NPC1POLBKMT2AMEN1
SCHEMBL21098369 0.93 SMN1; SMN2 (0.89) SMN1; SMN2NPC1POLBKMT2AMEN1
SCHEMBL27176246 0.89 MEN1 (0.73) SMN1; SMN2NPC1KMT2AMEN1HTT
SCHEMBL30087224 0.89 MEN1 (0.73) SMN1; SMN2NPC1KMT2AMEN1HTT
SCHEMBL10922996 0.88 ALDH1A1 (0.72) SMN1; SMN2NPC1POLBKMT2AMEN1
SCHEMBL4484066 0.88 SMN1; SMN2 (0.80) SMN1; SMN2NPC1POLBKMT2AMEN1
SCHEMBL14082170 0.87 NAMPT (0.67) SMN1; SMN2NPC1POLBKMT2AMEN1
SCHEMBL95881 0.86 SMN1; SMN2 (0.78) SMN1; SMN2NPC1POLBKMT2AMEN1
SCHEMBL13211944 0.86 SMN1; SMN2 (0.78) SMN1; SMN2NPC1POLBKMT2AMEN1
SCHEMBL6571604 0.86 SMN1; SMN2 (0.84) SMN1; SMN2NPC1POLBKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-06-05 US disclosed
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-06-05 US disclosed
US-8513294-B2 Substituted imidazole derivatives and methods of use thereof for treating cancer OSTA BIOTECHNOLOGIES (CA) 2013-08-20 US disclosed
US-8513294-B2 Substituted imidazole derivatives and methods of use thereof for treating cancer OSTA BIOTECHNOLOGIES (CA) 2013-08-20 US disclosed
US-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEENS UNIVERSITY AT KINGSTON (CA) 2012-01-26 US disclosed
US-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2011-12-29 US disclosed
US-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2011-12-29 US disclosed
US-7943650-B2 Methods of treating cancer with imidazolyl compounds OSTA BIOTECHNOLOGIES (CA) 2011-05-17 US disclosed
US-7943650-B2 Methods of treating cancer with imidazolyl compounds OSTA BIOTECHNOLOGIES (CA) 2011-05-17 US disclosed
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2009-07-09 US disclosed
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2009-07-09 US disclosed
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2009-07-09 US disclosed
WO-2008151437-A1 HEME-OXYGENASE INHIBITORS AND USE OF THE SAME IN THE TREATMENT OF CANCER AND DISEASES OF THE CENTRAL NERVOUS SYSTEM OSTA BIOTECHNOLOGIES (CA) 2008-12-18 WO disclosed
US-4568687-A THROMBOXANE SYNTHETASE TNZYME INHIBITORS; HYPOTENSIVE AGENTS, CARDIOTONIC AGENTS AMERICAN CYANAMID COMPANY (US) 1986-02-04 US disclosed
EP-0117462-A2 N-(2-4-(1H-imidazol-1-yl)alkyl)arylamides AMERICAN CYANAMID COMPANY (US) 1984-09-05 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 (4 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-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System TXNRD2, HMOX1, HMOX2 SMN1; SMN2 213/4885NPC1 561/4885POLB 823/4885
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 SMN1; SMN2 95/4885NPC1 833/4885POLB 643/4885
US-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 SMN1; SMN2 95/4885NPC1 833/4885POLB 643/4885
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 SMN1; SMN2 122/4885NPC1 708/4885POLB 918/4885

“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.