SCHEMBL1307494

SCHEMBL1307494

C1=NCCN1c1cc2ccccc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HRH4 Q9H3N8 4/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
FLT3 P36888 1/20 0.35
CYP2A6 P11509 1/20 0.35
VCP P55072 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL7548161 0.73 APAF1 (0.41) AOC3HRH3ALDH1A1HRH4NPC1
SCHEMBL4817715 0.72 HRH3 (0.42) AOC3HRH3ALDH1A1HRH4NPC1
SCHEMBL6583705 0.72 POLB (0.37) AOC3HRH3ALDH1A1HRH4NPC1
SCHEMBL8952775 0.71 BCHE (0.55) ALDH1A1HRH4NPC1RAB9ASMN1; SMN2
SCHEMBL27541527 0.71 HRH3 (0.44) AOC3HRH3ALDH1A1HRH4NPC1
SCHEMBL8087823 0.70 HRH3 (0.50) AOC3HRH3ALDH1A1HRH4NPC1
SCHEMBL5667292 0.70 HRH3 (0.40) AOC3HRH3ALDH1A1HRH4NPC1
SCHEMBL2940750 0.69 HRH3 (0.49) AOC3HRH3HRH4NPC1RAB9A
SCHEMBL29684111 0.69 HRH3 (0.49) AOC3HRH3HRH4NPC1RAB9A
SCHEMBL28840867 0.68 CA12 (0.46) AOC3HRH3ALDH1A1HRH4NPC1

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 9 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
CN-101679382-A 3-imidazolyl-indoles for the treatment of proliferative diseases NOVARTIS AG 2010-03-24 CN 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-5385919-A Antidiabetic agents RECKITT & COLMAN PRODUCTS LIMITED (GB) 1995-01-31 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 AOC3 4225/4885HRH3 2435/4885ALDH1A1 1932/4885
US-20100125064-A1 3-Imidazolyl-Indoles for the Treatment of Proliferative Diseases MDM4, TP53, MDM2 AOC3 4410/4885HRH3 1388/4885ALDH1A1 2589/4885

“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.