SCHEMBL4072632

SCHEMBL4072632

O=C1OCCc2c1cnc1ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 1/20 0.42
KDM4E B2RXH2 2/20 0.38
GPR3 P46089 1/20 0.38
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PDPK1 O15530 1/20 0.35
CA12 O43570 1/20 0.35
PARP1 P09874 1/20 0.35
ALOX15 P16050 1/20 0.35
CA9 Q16790 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
ERN1 O75460 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MPO P05164 1/20 0.34
ACHE P22303 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 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
SCHEMBL7412699 0.83 ALOX5 (0.42) KDM4EGPR3NPC1RAB9ASMN1; SMN2
SCHEMBL4246880 0.78 LRRK2 (0.38) ALDH1A1CYP1A2LRRK2
SCHEMBL28417673 0.75 MEN1 (0.42) ALDH1A1KDM4EGPR3NPC1RAB9A
SCHEMBL8585832 0.69 GRM2 (0.47) KDM4EGPR3NPC1RAB9ASMN1; SMN2
SCHEMBL2452636 0.66 MAOA (0.44) ALDH1A1KDM4ESMN1; SMN2ALOX15KMT2A
SCHEMBL8874682 0.66 KDM4E (0.42) ALDH1A1KDM4EGPR3NPC1RAB9A
SCHEMBL7404594 0.65 UGCG (0.49) ALDH1A1KDM4ENPC1RAB9AKMT2A
SCHEMBL15333391 0.65 ACHE (0.47) KDM4EGPR3NPC1RAB9ASMN1; SMN2
SCHEMBL29997743 0.64 GPR3 (0.48) KDM4EGPR3SMN1; SMN2PDPK1CA12
SCHEMBL9155402 0.63 KDM4E (0.44) ALDH1A1CYP1A2KDM4EGPR3ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008123756-A1 A PHARMACEUTICAL COMPOSITIONS CONTAINING LACTON TYPE PYRIDINE DERIVATIVES AS AN EFFECTIVE INGREDIENT FOR THE PREVENTION AND TREATMENT OF ISCHEMIA SK CHEMICALS CO., LTD. (KR) 2008-10-16 WO claimed
US-7601736-B2 Such as 3,4-dihydro-pyrano[3,4-c]pyridine-1-on; cytokine suppressive antiinflammatory drugs; analgesics SK CHEMICALS CO., LTD. (KR) 2009-10-13 US disclosed
EP-1706412-A4 NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SK CHEMICALS CO LTD (KR) 2009-03-18 EP disclosed
WO-2008123756-A1 A PHARMACEUTICAL COMPOSITIONS CONTAINING LACTON TYPE PYRIDINE DERIVATIVES AS AN EFFECTIVE INGREDIENT FOR THE PREVENTION AND TREATMENT OF ISCHEMIA SK CHEMICALS CO., LTD. (KR) 2008-10-16 WO disclosed
US-20070254909-A1 Novel Pyridine Derivatives, a Process for Their Preparation and a Pharmaceutical Composition Containing the Same SK CHEMICALS CO., LTD. (KR) 2007-11-01 US disclosed
EP-1706412-A1 NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SK Chemicals, Co., Ltd. (KR) 2006-10-04 EP disclosed
WO-2005063768-A1 NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SK CHEMICALS, CO., LTD. (KR) 2005-07-14 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 (1 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-20070254909-A1 Novel Pyridine Derivatives, a Process for Their Preparation and a Pharmaceutical Composition Containing the Same IL5, IL1B, P2RY4 ALDH1A1 1008/4885CYP1A2 161/4885KDM4E 405/4885

“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.