SCHEMBL16759

SCHEMBL16759

[C]1=Nc2ccccc2CO1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
TRPA1 O75762 1/20 0.31

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
SCHEMBL1072976 0.65
SCHEMBL819265 0.65
SCHEMBL1651152 0.64 NOS3 (0.48) MAOAMAOBKDM4ENPC1ALDH1A1
SCHEMBL5768766 0.64 TSHR (0.42) MAOAMAOBNPC1ALDH1A1LMNA
SCHEMBL57722 0.62 TRPA1 (0.41) MAOAMAOBKDM4ENPC1ALDH1A1
SCHEMBL924776 0.62 KDM4E (0.33) MAOAMAOBKDM4ENPC1ALDH1A1
SCHEMBL29419570 0.62 TRPA1 (0.41) MAOAMAOBKDM4ENPC1ALDH1A1
SCHEMBL224492 0.62 NOS3 (0.42) NPC1ALDH1A1LMNAMAPTRAB9A
SCHEMBL7439508 0.62 NOS3 (0.33) ALDH1A1LMNANOS3NOS1NOS2
SCHEMBL789571 0.61 NOS3 (0.32) MAOBNPC1RAB9ANOS3NOS1

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 1135 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034941-B2 Imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-11 US claimed
EP-2228375-A1 New xanthin derivatives, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2010-09-15 EP claimed
US-20100144703-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-06-10 US claimed
EP-1562946-B1 NOVEL XANTHINE DERIVATIVES, THE PRODUCTION AND THE USE THEREOF IN THE FORM OF DRUGS BOEHRINGER INGELHEIM PHARMA (DE) 2010-05-26 EP claimed
US-20090258856-A1 IMIDAZOPYRIDAZINONE AND IMIDAZOPYRIDONE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US claimed
US-7566707-B2 Imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-28 US claimed
US-7482337-B2 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-01-27 US claimed
EP-1641799-B8 IMIDAZO-PYRIDAZINONE DERIVATIVES AND IMIDAZO-PYRIDONE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2008-10-08 EP claimed
EP-1641799-B1 IMIDAZO-PYRIDAZINONE DERIVATIVES AND IMIDAZO-PYRIDONE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2008-03-12 EP claimed
EP-1021410-B1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER (US) 2006-12-27 EP claimed
US-5541192-A Rapamycin amidino carbamates AMERICAN HOME PRODUCTS CORPORATION (US) 1996-07-30 US claimed
US-5541191-A Rapamycin amidino carbamates AMERICAN HOME PRODUCTS CORPORATION (US) 1996-07-30 US claimed
US-5532355-A IMMUNOSUPPRESSANTS FOR ORGAN TRANSPLANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-07-02 US claimed
US-5519031-A TREATMENT OF RESTENOSIS, IMMUNOSUPPRESIVE AGENTS, ANTIINFLAMMATORY AGENTS, FUNGICIDES OR ANTITUMOR AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-05-21 US claimed
US-5516780-A IMMUNOSUPPRESSIVE, ANTIINFLAMMATORY, ANTIFUNGAL AND ANTITUMOR AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-05-14 US claimed
US-5508286-A Rapamycin amidino carbamates AMERICAN HOME PRODUCTS CORPORATION (US) 1996-04-16 US claimed
US-5463048-A Immunosuppressive, antiinflammatory, antifungal, antitumor, antiproliferative agents AMERICAN HOME PRODUCTS CORPORATION (US) 1995-10-31 US claimed
US-5434260-A Treating transplantation rejection in mammals AMERICAN HOME PRODUCTS CORPORATION (US) 1995-07-18 US claimed
US-5385908-A Hindered esters of rapamycin AMERICAN HOME PRODUCTS CORPORATION (US) 1995-01-31 US claimed
US-5385909-A Heterocyclic esters of rapamycin AMERICAN HOME PRODUCTS CORPORATION (US) 1995-01-31 US claimed

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-20090258856-A1 IMIDAZOPYRIDAZINONE AND IMIDAZOPYRIDONE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 MAOA 697/4885MAOB 547/4885KDM4E 229/4885
US-20100144703-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP7, DPP3 MAOA 653/4885MAOB 222/4885KDM4E 1177/4885

“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.