SCHEMBL1307492

SCHEMBL1307492

c1ccc2[nH]c(C3=NCCN3)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 9/20 0.54
KDM4E B2RXH2 4/20 0.50
CYP1A2 P05177 3/20 0.50
ALDH1A1 P00352 2/20 0.49
CYP2D6 P10635 2/20 0.49
ADRA2A P08913 2/20 0.49
HPGD P15428 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
CYP19A1 P11511 1/20 0.47
LMNA P02545 1/20 0.46
PMP22 Q01453 1/20 0.46

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
SCHEMBL8189163 0.85 NISCH (0.61) NISCHMAOBNPC1RAB9ACYP19A1
SCHEMBL14535010 0.78 PRMT1 (0.70) NISCH
SCHEMBL8229714 0.75 PRMT1 (0.71) NISCH
SCHEMBL8238119 0.74 PRMT1 (0.69) NISCH
SCHEMBL29631691 0.73 RAB9A (0.74) KDM4ECYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL374022 0.73 RAB9A (0.74) KDM4ECYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL362453 0.73 PRMT1 (0.68) NISCH
Hydrochloric Acid SCHEMBL3383477 0.72 PRMT1 (0.66) NISCH
SCHEMBL8952772 0.70 KDM4E (0.58) NISCHKDM4ECYP1A2ALDH1A1CYP2D6
SCHEMBL6587783 0.70 ADRA2A (0.50) NISCHCYP1A2CYP2D6ADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8053457-B2 3-imidazolyl-indoles for the treatment of proliferative diseases NOVARTIS AG (CH) 2011-11-08 US disclosed
US-20100125064-A1 3-Imidazolyl-Indoles for the Treatment of Proliferative Diseases NOVARTIS AG (CH) 2010-05-20 US disclosed
EP-2142535-A2 3-IMIDAZOLYL-INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis Ag (CH) 2010-01-13 EP disclosed
WO-2008119741-A2 3-IMIDAZOLYL-INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2008-10-09 WO disclosed
US-20040009976-A1 Hypoglycemic imidazoline compounds TAKEUCHI KUMIKO (US) 2004-01-15 US disclosed
US-6410562-B1 ANTIDIABETIC AGENTS ELI LILLY AND COMPANY 2002-06-25 US disclosed
US-5523279-A COMPOSITION FOR CONTROLLING MONOCOTYLEDENOUS AND DICOTYLEDENOUS PLANT SPECIES AMERICAN CYANAMID COMPANY (US) 1996-06-04 US disclosed
US-5523279-A COMPOSITION FOR CONTROLLING MONOCOTYLEDENOUS AND DICOTYLEDENOUS PLANT SPECIES AMERICAN CYANAMID COMPANY (US) 1996-06-04 US disclosed
US-5516751-A NONPHYTOTOXIC; SUGAR BEETS, SOYBEANS AMERICAN CYANAMID COMPANY (US) 1996-05-14 US disclosed
US-5516751-A NONPHYTOTOXIC; SUGAR BEETS, SOYBEANS AMERICAN CYANAMID COMPANY (US) 1996-05-14 US disclosed
EP-0474991-B1 Herbicidal 2-(2-imidazolin -2-yl)-benzazoles AMERICAN CYANAMID CO (US) 1995-10-18 EP disclosed
US-5385919-A Antidiabetic agents RECKITT & COLMAN PRODUCTS LIMITED (GB) 1995-01-31 US disclosed
US-5108485-A Controlling monocotyledonous and dicotyledonous plants AMERICAN CYANAMID COMPANY (US) 1992-04-28 US disclosed
EP-0474991-A1 Herbicidal 2-(2-imidazolin -2-yl)-benzazoles AMERICAN CYANAMID COMPANY (US) 1992-03-18 EP disclosed
US-5017584-A Antidepressant 2-(4,5-dihydro-1H-imidazolyl)-dihydro-1H-indoles, -1,2,3,4-tetrahydroquinolines and -1H-indoles, and methods of use thereas STERLING DRUG INC. (US) 1991-05-21 US disclosed
US-5017584-A Antidepressant 2-(4,5-dihydro-1H-imidazolyl)-dihydro-1H-indoles, -1,2,3,4-tetrahydroquinolines and -1H-indoles, and methods of use thereas STERLING DRUG INC. (US) 1991-05-21 US disclosed
EP-0003901-B1 3-(IMIDAZOL-1-YLALKYL)INDOLES AS SELECTIVE INHIBITORS OF THROMBOXANE SYNTHETASE,PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR PREPARING THEM Pfizer Limited (GB) 1981-08-05 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 (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-20040009976-A1 Hypoglycemic imidazoline compounds GPR119, IAPP, GLP1R NISCH 277/4885KDM4E 2605/4885CYP1A2 1285/4885
US-20100125064-A1 3-Imidazolyl-Indoles for the Treatment of Proliferative Diseases MDM4, TP53, MDM2 NISCH 2458/4885KDM4E 920/4885CYP1A2 1527/4885

“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.