SCHEMBL7846846

SCHEMBL7846846

c1nc2c3c(ccc2[nH]1)CCC3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
PARP1 P09874 2/20 0.35
ALDH1A1 P00352 2/20 0.34
DPP4 P27487 2/20 0.34
PKM P14618 1/20 0.34
KIF11 P52732 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
PRNP P04156 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL23840126 0.96 NOS3 (0.39) BRD4LMNAKDM4EMEN1KMT2A
SCHEMBL28937348 0.77 CD44 (0.41) LMNAMEN1KMT2APOLB
SCHEMBL4667412 0.74 LMNA (0.35) BRD4LMNAKDM4EMEN1KMT2A
SCHEMBL29697758 0.74 GRIA1 (0.46) BRD4LMNAKDM4EMEN1KMT2A
SCHEMBL11985462 0.70 HCAR1 (0.38) KDM4ENOS3NOS1NOS2PARP1
SCHEMBL31345218 0.69 NOS3 (0.41) LMNAKDM4EMEN1KMT2APOLB
SCHEMBL5726226 0.68 BRD4 (0.41) BRD4LMNAKDM4EMEN1KMT2A
SCHEMBL14648508 0.68 ADRB2 (0.39) LMNAKDM4EPARP1ALDH1A1KIF11
SCHEMBL12572842 0.67 BRD4 (0.36) BRD4KDM4EKMT2AALDH1A1HPGD
SCHEMBL23944932 0.67 PARP1 (0.46) NOS3NOS1NOS2PARP1ALDH1A1

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
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
US-4460709-A Process for producing oxygen-containing organic compounds AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY (JP) 1984-07-17 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 (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 BRD4 2250/4885LMNA 2254/4885KDM4E 2418/4885
US-20240174583-A1 PROCESSES FOR THE VAPOR PHASE HYDROGENATION OF ALDEHYDES ADH1C, ADH5, ALDH2 BRD4 1339/4885LMNA 1542/4885KDM4E 1040/4885

“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.