SCHEMBL4847358

SCHEMBL4847358

NCc1ccc2c(C(N)=O)cccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 1/20 0.57
GAA P10253 1/20 0.57
PARP1 P09874 2/20 0.46
PTPN1 P18031 1/20 0.44
TBXAS1 P24557 1/20 0.43
ROCK1 Q13464 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PLG P00747 4/20 0.41
KLK1 P06870 4/20 0.41
KLK6 Q92876 4/20 0.41
AURKA O14965 4/20 0.41
MET P08581 4/20 0.41
KDR P35968 4/20 0.41
TEK Q02763 4/20 0.41
AURKB Q96GD4 4/20 0.41
PDPK1 O15530 1/20 0.40
ABL1 P00519 1/20 0.40
LCK P06239 1/20 0.40

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
SCHEMBL15345405 0.87 KDM4E (0.57) KDM4EALDH1A1GAAPARP1POLB
SCHEMBL4846986 0.81 PARP1 (0.53) KDM4EALDH1A1GAAPARP1POLB
SCHEMBL4848291 0.81 PARP1 (0.52) KDM4EALDH1A1GAAPARP1PTPN1
SCHEMBL15345319 0.81 KDM4E (0.50) KDM4EALDH1A1GAAPARP1POLB
SCHEMBL1807858 0.81 KDM4E (0.62) KDM4EALDH1A1GAAPARP1PTPN1
SCHEMBL4839401 0.80 KMT2A (0.51) KDM4EALDH1A1GAAPARP1TBXAS1
SCHEMBL4844992 0.79 KDM4E (0.49) KDM4EALDH1A1GAAPARP1TBXAS1
SCHEMBL4846719 0.79 PARP1 (0.54) KDM4EALDH1A1GAAPARP1ROCK1
SCHEMBL634882 0.79 KDM4E (0.65) KDM4EALDH1A1GAAPARP1PTPN1
SCHEMBL4844426 0.78 PARP1 (0.56) KDM4EALDH1A1GAAPARP1TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2657214-B1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL MITSUBISHI GAS CHEMICAL CO (JP) 2017-02-15 EP disclosed
US-8993774-B2 Process for production of aromatic alcohol or heterocyclic aromatic alcohol MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2015-03-31 US disclosed
US-20130303775-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-11-14 US disclosed
EP-2657214-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL Mitsubishi Gas Chemical Company, Inc. (JP) 2013-10-30 EP disclosed
US-7368462-B1 Melanin concentrating hormone antagonists THE PROCTER & GAMBLE COMPANY (US) 2008-05-06 US disclosed
US-20080058423-A1 Melanin concentrating hormone antagonists THE PROCTER & GAMBLE COMPANY 2008-03-06 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-20080058423-A1 Melanin concentrating hormone antagonists MCHR1, MCHR2, MC4R KDM4E 2926/4885ALDH1A1 3013/4885GAA 513/4885
US-20130303775-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL ADH1C, ADH1A, ADH5 KDM4E 1985/4885ALDH1A1 250/4885GAA 4030/4885

“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.