SCHEMBL2267409

SCHEMBL2267409

COc1[c]nncc1OC

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL29027368 0.68 ALDH1A1 (0.60) ALDH1A1
SCHEMBL197155 0.64 CA12 (0.35)
SCHEMBL311916 0.62 ACHE (0.33) ALDH1A1
SCHEMBL4061519 0.61 L3MBTL1 (0.33) ALDH1A1
SCHEMBL4060260 0.61 ALDH1A1 (0.31) ALDH1A1
SCHEMBL20611991 0.60
SCHEMBL25403571 0.59
SCHEMBL8932301 0.59
SCHEMBL4067084 0.58
SCHEMBL9979581 0.57 CYP3A4 (0.38) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108137547-B Heterocyclic compounds useful as TNF alpha modulators 百时美施贵宝公司 2021-11-12 CN claimed
US-10865191-B2 Heterocyclic compounds useful as modulators of TNF alpha BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-15 US claimed
US-20180222883-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF TNF ALPHA BRISTOL MYERS SQUIBB CO (US) 2018-08-09 US claimed
EP-3331871-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF TNF ALPHA Bristol-Myers Squibb Company (US) 2018-06-13 EP claimed
WO-2017023905-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF TNF ALPHA BRISTOL-MYERS SQUIBB COMPANY (US) 2017-02-09 WO claimed
CN-108137547-B Heterocyclic compounds useful as TNF alpha modulators 百时美施贵宝公司 2021-11-12 CN disclosed
US-10865191-B2 Heterocyclic compounds useful as modulators of TNF alpha BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-15 US disclosed
US-20180222883-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF TNF ALPHA BRISTOL MYERS SQUIBB CO (US) 2018-08-09 US disclosed
EP-3331871-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF TNF ALPHA Bristol-Myers Squibb Company (US) 2018-06-13 EP disclosed
US-9962377-B2 Hydroxy-6-heteroarylphenanthridines and their use as PDE4 inhibitors TAKEDA GMBH (DE) 2018-05-08 US disclosed
WO-2017023905-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF TNF ALPHA BRISTOL-MYERS SQUIBB COMPANY (US) 2017-02-09 WO disclosed
US-20160279120-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS TAKEDA GMBH (DE) 2016-09-29 US disclosed
US-8324391-B2 Hydroxy-6-heteroarylphenanthridines and their use as PDE4 inhibitors NYCOMED GMBH (DE) 2012-12-04 US disclosed
US-8318944-B2 Hydroxy-6-heteroarylphenanthridines and their use as PDE4 inhibitors NYCOMED GMBH (DE) 2012-11-27 US disclosed
US-20110257169-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS NYCOMED GMBH (DE) 2011-10-20 US disclosed
US-20110257221-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS NYCOMED GMBH (DE) 2011-10-20 US disclosed
US-8003798-B2 Hydroxy-6-heteroarylphenanthridines and their use as PDE4 inhibitors NYCOMED GMBH (DE) 2011-08-23 US disclosed
US-20080167301-A1 Respiratory system disorders ALTANA PHARMA AG (DE) 2008-07-10 US disclosed
EP-1723135-A1 NOVEL HYDROXY-6-HEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS Altana Pharma AG (DE) 2006-11-22 EP disclosed
WO-2005085225-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS ALTANA PHARMA AG (DE) 2005-09-15 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 (6 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-10865191-B2 Heterocyclic compounds useful as modulators of TNF alpha TNF, TNFRSF9, TNFRSF1A ALDH1A1 2515/4885
US-20180222883-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF TNF ALPHA TNF, TNFRSF9, TNFRSF1A ALDH1A1 2515/4885
US-20110257221-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4C ALDH1A1 273/4885
US-20110257169-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4C ALDH1A1 273/4885
US-20160279120-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE12, PDE4B ALDH1A1 148/4885
US-20080167301-A1 Respiratory system disorders PDE4A, PDE4B, PDE12 ALDH1A1 300/4885

“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.