SCHEMBL103116

SCHEMBL103116

Cc1cccn2cc(CCl)nc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.61
NPC1 O15118 7/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
MAPT P10636 5/20 0.57
KDM4E B2RXH2 8/20 0.56
ALDH1A1 P00352 7/20 0.56
MAPK1 P28482 3/20 0.56
POLB P06746 1/20 0.56
HSD17B10 Q99714 5/20 0.55
LMNA P02545 2/20 0.55
HPGD P15428 3/20 0.54
NPSR1 Q6W5P4 3/20 0.54
TP53 P04637 2/20 0.54
TSHR P16473 1/20 0.54
PKM P14618 2/20 0.54
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
GAA P10253 1/20 0.53
PDE10A Q9Y233 2/20 0.50

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
SCHEMBL9570481 0.86 RAB9A (0.61) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL7112860 0.84 RAB9A (0.60) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL9570110 0.84 RAB9A (0.60) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL103671 0.84 NPC1 (0.60) RAB9ANPC1SMN1; SMN2MAPTKDM4E
Hydrochloric Acid SCHEMBL29899398 0.83 RAB9A (0.58) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL9570359 0.83 KDM4E (0.59) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL12092516 0.83 RAB9A (0.62) RAB9ANPC1SMN1; SMN2MAPTKDM4E
Hydrochloric Acid SCHEMBL29899408 0.83 RAB9A (0.58) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL14736747 0.81 NPC1 (0.57) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL17265005 0.81 RAB9A (0.64) RAB9ANPC1SMN1; SMN2MAPTKDM4E

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9669029-B2 Heteroaromatic phenylimidazole derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2017-06-06 US disclosed
US-9592230-B2 Substituted imidazoles as PDE10A inhibitors H. LUNDBECK A/S (DK) 2017-03-14 US disclosed
US-20150290191-A1 Heteroaromatic Phenylimidazole derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2015-10-15 US disclosed
US-9096589-B2 Heteroaromatic phenylimidazole derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2015-08-04 US disclosed
US-20150190395-A1 Novel Phenylimidazole Derivatives as PDE10A Enzyme Inhibitors H. LUNDBECK A/S (DK) 2015-07-09 US disclosed
US-9018217-B2 Phenylimidazole derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2015-04-28 US disclosed
US-20150025081-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2015-01-22 US disclosed
US-8883826-B2 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2014-11-11 US disclosed
US-8865711-B2 Phenylimidazole derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2014-10-21 US disclosed
EP-2513107-B1 HETEROAROMATIC PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS LUNDBECK & CO AS H (DK) 2014-07-30 EP disclosed
EP-1704143-B1 MALONONITRILE COMPOUND AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2008-09-03 EP disclosed
EP-1704143-B1 MALONONITRILE COMPOUND AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2008-09-03 EP disclosed
EP-1765795-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2007-03-28 EP disclosed
EP-1704143-A1 MALONONITRILE COMPOUND AS PESTICIDES Sumitomo Chemical Company, Limited (JP) 2006-09-27 EP disclosed
WO-2005123703-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2005-12-29 WO disclosed
WO-2005068432-A1 MALONONITRILE COMPOUND AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-07-28 WO disclosed
US-6013654-A Imidazo[1,2-A]pyridines for the treatment of CNS and cardiac diseases PHARMACIA & UPJOHN COMPANY (US) 2000-01-11 US disclosed
US-5912246-A Imidazo 1,2-a!pyridines for the treatment of CNS and cardiac diseases PHARMACIA & UPJOHN COMPANY (US) 1999-06-15 US disclosed
EP-0809642-A1 IMIDAZO 1,2-A]PYRIDINES FOR THE TREATMENT OF CNS AND CARDIAC DISEASES PHARMACIA & UPJOHN COMPANY (US) 1997-12-03 EP disclosed
WO-1996025414-A1 IMIDAZO[1,2-A]PYRIDINES FOR THE TREATMENT OF CNS AND CARDIAC DISEASES PHARMACIA & UPJOHN COMPANY (US) 1996-08-22 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 (3 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-20150190395-A1 Novel Phenylimidazole Derivatives as PDE10A Enzyme Inhibitors PDE10A, PDE5A, PDE3B RAB9A 722/4885NPC1 1261/4885SMN1; SMN2 588/4885
US-20150290191-A1 Heteroaromatic Phenylimidazole derivatives as PDE10A enzyme inhibitors PDE10A, PDE3B, PDE12 RAB9A 1169/4885NPC1 984/4885SMN1; SMN2 719/4885
US-20150025081-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS PDE10A, PDE5A, PDE3B RAB9A 722/4885NPC1 1261/4885SMN1; SMN2 588/4885

“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.