SCHEMBL4513619

SCHEMBL4513619

C1=Nc2cc3ccccc3c3cccc1c23

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
HSD17B10 Q99714 5/20 0.44
CYP1A2 P05177 4/20 0.44
HPGD P15428 3/20 0.44
HIF1A Q16665 2/20 0.44
TSHR P16473 2/20 0.44
ERBB2 P04626 1/20 0.44
FYN P06241 1/20 0.44
MAOA P21397 1/20 0.44
ACHE P22303 1/20 0.44
AHR P35869 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1B1 Q16678 1/20 0.39
THRB P10828 1/20 0.39
TRPA1 O75762 5/20 0.36
TRPM4 Q8TD43 1/20 0.35
CYP2A6 P11509 3/20 0.34
TDP1 Q9NUW8 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
SCHEMBL4507288 0.85 ALDH1A1 (0.44) ALDH1A1HSD17B10CYP1A2HPGDHIF1A
SCHEMBL4509405 0.74 CYP1A2 (0.44) ALDH1A1HSD17B10CYP1A2HPGDHIF1A
SCHEMBL25508 0.72 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP1A2HPGDHIF1A
SCHEMBL30879493 0.72 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP1A2HPGDHIF1A
SCHEMBL2637178 0.71 GRK6 (0.45) ALDH1A1HSD17B10CYP1A2HPGDTSHR
SCHEMBL29473502 0.71 GRK6 (0.45) ALDH1A1HSD17B10CYP1A2HPGDTSHR
Benzene SCHEMBL20788840 0.71 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP1A2HPGDHIF1A
Carbazole SCHEMBL28802619 0.69 ALDH1A1 (0.45) ALDH1A1HSD17B10HPGDMAOAACHE
SCHEMBL2321840 0.68 ALDH1A1 (0.62) ALDH1A1HSD17B10CYP1A2HPGDHIF1A
SCHEMBL132650 0.68 ALDH1A1 (0.62) ALDH1A1HSD17B10CYP1A2HPGDHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252814-B2 Agents and crystals for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-28 US disclosed
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ISHIHARA YUJI 2009-10-22 US disclosed
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
EP-1891954-A2 Acetylcholinesterase inhibitors for improving excretory potency of urinary bladder Takeda Pharmaceutical Company Limited (JP) 2008-02-27 EP disclosed
US-20070232538-A1 Uses of polypeptides TAKEDA PHARMACEUTICAL COMPANY, LTD (JP) 2007-10-04 US disclosed
US-20070021391-A1 Preventive/remedy for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-25 US disclosed
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ISIHARA YUJI 2006-12-14 US disclosed
US-7138533-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-21 US disclosed
US-7132547-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-07 US disclosed
US-20060211675-A1 Preventives/remedies for urinary disturbance ISHIHARA YUJI 2006-09-21 US disclosed
WO-1996020927-A1 DIBENZ[cd,f]INDOLE DERIVATIVES NOVARTIS AG (CH) 1996-07-11 WO disclosed
EP-0655451-A1 Tetracyclic condensed heterocyclic compounds for the treatment of senile dementia TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-05-31 EP disclosed
WO-1994025461-A1 CERTAIN CYCLOALKYL AND AZACYCLOALKYL PYRROLOPYRIDINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1994-11-10 WO disclosed
EP-0216072-B1 Use of dibenz[cd,f]indole derivatives in the prevention of alcohol abuse SANDOZ AG (CH) 1992-08-26 EP disclosed
EP-0216072-B1 Use of dibenz[cd,f]indole derivatives in the prevention of alcohol abuse SANDOZ AG (CH) 1992-08-26 EP disclosed
US-4795759-A PREVENTION ALCOHOLISM SANDOZ LTD. (CH) 1989-01-03 US disclosed
US-4795759-A PREVENTION ALCOHOLISM SANDOZ LTD. (CH) 1989-01-03 US disclosed
EP-0216072-A2 Use of dibenz[cd,f]indole derivatives in the prevention of alcohol abuse SANDOZ AG (CH) 1987-04-01 EP disclosed
EP-0216072-A2 Use of dibenz[cd,f]indole derivatives in the prevention of alcohol abuse SANDOZ AG (CH) 1987-04-01 EP disclosed
US-4602032-A Dibenz[cd,f]indole derivatives, their preparation and pharmaceutical compositions containing them SANDOZ LTD. (CH) 1986-07-22 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 (5 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-20070021391-A1 Preventive/remedy for urinary disturbance ACHE, BCHE, CHAT ALDH1A1 346/4885HSD17B10 826/4885CYP1A2 725/4885
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A ALDH1A1 1143/4885HSD17B10 3565/4885CYP1A2 1169/4885
US-20070232538-A1 Uses of polypeptides NPSR1, SCTR, GRPR ALDH1A1 3946/4885HSD17B10 4390/4885CYP1A2 4859/4885
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A ALDH1A1 1245/4885HSD17B10 3568/4885CYP1A2 1276/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE ALDH1A1 212/4885HSD17B10 1291/4885CYP1A2 799/4885

“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.