SCHEMBL7856459

SCHEMBL7856459

CC(O)c1cccc2[nH]cnc12

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.47
BRD4 O60885 1/20 0.40
DRD4 P21917 2/20 0.38
DRD3 P35462 2/20 0.38
DRD2 P14416 1/20 0.38
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
ATM Q13315 1/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
PRMT5 O14744 1/20 0.35

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
SCHEMBL2611049 0.85 PARP1 (0.46) PARP1BRD4DRD4DRD3DRD2
SCHEMBL24351926 0.82 PARP1 (0.44) PARP1BRD4DRD4DRD3DRD2
SCHEMBL2497545 0.80 PARP1 (0.50) PARP1BRD4PRMT5
SCHEMBL18713659 0.79 TSHR (0.42) PARP1BRD4DRD4DRD3DRD2
SCHEMBL2127998 0.79 PARP1 (0.41) PARP1BRD4DRD4DRD3DRD2
SCHEMBL2820806 0.79 PARP1 (0.56) PARP1BRD4
SCHEMBL2127994 0.78 HTR2A (0.47) PARP1BRD4DRD4DRD3DRD2
SCHEMBL2496022 0.78 PARP1 (0.41) PARP1BRD4DRD4DRD3DRD2
SCHEMBL20032408 0.77 PARP1 (0.42) PARP1BRD4DRD4DRD3DRD2
SCHEMBL29117069 0.77 PARP1 (0.43) PARP1DRD4DRD3DRD2PRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174583-A1 PROCESSES FOR THE VAPOR PHASE HYDROGENATION OF ALDEHYDES DOW TECHNOLOGY INVESTMENTS LLC (US) 2024-05-30 US disclosed
EP-4347544-A1 PROCESSES FOR THE VAPOR PHASE HYDROGENATION OF ALDEHYDES Dow Technology Investments LLC (US) 2024-04-10 EP disclosed
WO-2021032148-A1 AMINOPYRAZINE COMPOUNDS AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2021-02-25 WO disclosed
EP-2970074-B1 HYDROFORMYLATION PROVESS USING A HETEREOCYCLIC AGENT AS CATALYTIC STABILIZING AGENT DOW TECHNOLOGY INVESTMENTS LLC (US) 2019-04-24 EP disclosed
US-9573870-B2 Hetereocyclic agent as catalytic stabilizing agent in a hydroformylation process DOW TECHNOLOGY INVESTMENTS LLC (US) 2017-02-21 US disclosed
EP-2970074-A1 HETEREOCYCLIC AGENT AS CATALYTIC STABILIZING AGENT IN A HYDROFORMYLATION PROCESS Dow Technology Investments LLC (US) 2016-01-20 EP disclosed
US-20150376101-A1 HETEREOCYCLIC AGENT AS CATALYTIC STABILIZING AGENT IN A HYDROFORMYLATION PROCESS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY LLC 2015-12-31 US disclosed
WO-2014149915-A1 HETEREOCYCLIC AGENT AS CATALYTIC STABILIZING AGENT IN A HYDROFORMYLATION PROCESS DOW TECHNOLOGY INVESTMENTS LLC (US) 2014-09-25 WO disclosed
EP-0873292-B1 IMPROVED METAL-LIGAND COMPLEX CATALYZED PROCESSES UNION CARBIDE CHEM PLASTIC (US) 2001-12-19 EP disclosed
EP-0873292-A1 IMPROVED METAL-LIGAND COMPLEX CATALYZED PROCESSES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1998-10-28 EP disclosed
US-5731472-A HETEROCYCLIC NITROGEN COMPOUNDS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1998-03-24 US disclosed
WO-1997020798-A1 IMPROVED METAL-LIGAND COMPLEX CATALYZED PROCESSES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1997-06-12 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 (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-20150376101-A1 HETEREOCYCLIC AGENT AS CATALYTIC STABILIZING AGENT IN A HYDROFORMYLATION PROCESS NUDT1, CAT, HRAS PARP1 203/4885BRD4 2250/4885DRD4 2939/4885
US-20240174583-A1 PROCESSES FOR THE VAPOR PHASE HYDROGENATION OF ALDEHYDES ADH1C, ADH5, ALDH2 PARP1 2414/4885BRD4 1339/4885DRD4 438/4885

“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.