SCHEMBL7706724

SCHEMBL7706724

CC(=O)c1ccc(C)n1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.44
MAPT P10636 4/20 0.37
KDM4E B2RXH2 4/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
LMNA P02545 1/20 0.33
CXCL8 P10145 1/20 0.33
AKR1B1 P15121 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
GLO1 Q04760 1/20 0.33
NR4A1 P22736 2/20 0.32
HAAO P46952 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
SCHEMBL9336190 0.83 NAMPT (0.45) NAMPTMAPTKDM4EKMT2AMEN1
SCHEMBL1663159 0.81 NAMPT (0.44) NAMPTMAPTKDM4EKMT2AMEN1
SCHEMBL12748885 0.76 NPC1 (0.47) NAMPTKDM4ETDP1MAPK1L3MBTL1
SCHEMBL16452750 0.74 MCL1 (0.34) ALDH1A1EGFRSRC
SCHEMBL8404830 0.73 CXCL8 (0.61) KMT2AMEN1TDP1ALDH1A1HPGD
SCHEMBL7706732 0.70 NAMPT (0.37) NAMPTMAPTKDM4EKMT2AMEN1
SCHEMBL19556693 0.70 RAB9A (0.41) ALDH1A1HPGDLMNANR4A1PKM
SCHEMBL254079 0.69
SCHEMBL6328430 0.67 NAMPT (0.37) NAMPT
SCHEMBL5096513 0.67 NAMPT (0.37) NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4183783-A1 IMMUNOMODULATOR Hitgen Inc. (CN) 2023-05-24 EP disclosed
US-20180072672-A1 BIPYRIDYL COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2018-03-15 US disclosed
US-9908852-B2 Bipyridyl compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2018-03-06 US disclosed
US-20170001960-A1 BIPYRIDYL COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2017-01-05 US disclosed
US-6610730-B2 Viricides; protease inbhibitor AGOURON PHARMACEUTICALS, INC. 2003-08-26 US disclosed
US-4303689-A Flavoring with pyrazine derivatives FIRMENICH SA (CH) 1981-12-01 US disclosed
US-4138410-A Flavoring agent FIRMENICH & CIE (CH) 1979-02-06 US disclosed
US-4126618-A FLAVOR ADDITIVES FOR FOODS AND BEVERAGES FIRMENICH & CIE (CH) 1978-11-21 US disclosed
US-4085109-A Pyridine sulfur flavoring agents FIRMENICH & CIE (CH) 1978-04-18 US disclosed
US-3989713-A Pyrrylmethylthio flavoring agents FIRMENICH & CIE (CH) 1976-11-02 US disclosed
US-3952026-A FLAVOR ADDITIVE FOR FOODS AND BEVERAGES FIRMENICH & CIE (CH) 1976-04-20 US disclosed
US-3952024-A FLAVOR ADDITIVE FOR FOODS AND BEVERAGES FIRMENICH & CIE (CH) 1976-04-20 US disclosed
US-3943260-A TETRAHYDRO-THIO-PHEN-3-ONES FIRMENICH & CIE (CH) 1976-03-09 US disclosed
US-3931245-A FURYLALKYLTHIOL CARBOXYLATES FIRMENICH & CIE (CH) 1976-01-06 US disclosed
US-3931246-A FURYLALKYL-THIOETHERS FIRMENICH & CIE (CH) 1976-01-06 US disclosed
US-3931166-A FLAVORANTS FIRMENICH & CIE (CH) 1976-01-06 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-20170001960-A1 BIPYRIDYL COMPOUND CBR1, NR0B2, ERBB2 NAMPT 2197/4885MAPT 4692/4885KDM4E 3386/4885
US-20180072672-A1 BIPYRIDYL COMPOUND CBR1, NR0B2, ERBB2 NAMPT 2197/4885MAPT 4692/4885KDM4E 3386/4885

“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.