SCHEMBL17192037

SCHEMBL17192037

COc1ccc(COc2cc3c(c(Cl)c2OCc2ccc(OC)cc2)c(=O)n(CCN2CCCC2)c(=O)n3C)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.44
MCHR1 Q99705 2/20 0.44
HRH3 Q9Y5N1 2/20 0.41
TSHR P16473 1/20 0.39
LTA4H P09960 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 1/20 0.38
PREP P48147 1/20 0.38
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
RCE1 Q9Y256 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE1B Q01064 1/20 0.36
SSTR5 P35346 1/20 0.36
ESR1 P03372 3/20 0.36

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
SCHEMBL17192035 0.88 MAOB (0.38) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL17192040 0.78 KDM4E (0.46) KCNH2MCHR1HRH3LTA4HKDM4E
SCHEMBL15991610 0.76 HRH3 (0.45) KCNH2MCHR1HRH3KDM4EMEN1
SCHEMBL15680550 0.75 PARG (0.35) ALDH1A1PDE1B
SCHEMBL15671101 0.75 TNF (0.47) KCNH2MCHR1HRH3KDM4EALDH1A1
SCHEMBL14854397 0.75 HRH3 (0.44) KCNH2MCHR1HRH3KDM4EPREP
SCHEMBL15680223 0.75 RAD52 (0.45) KCNH2MCHR1HRH3SSTR5
SCHEMBL14842971 0.74 DRD2 (0.44) KCNH2MCHR1HRH3LTA4HALDH1A1
SCHEMBL17181530 0.74 POLB (0.46) HRH3KDM4EALDH1A1GAAMEN1
SCHEMBL18467722 0.73 DRD2 (0.44) KCNH2MCHR1HRH3LTA4HPREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10174053-B2 2 substituted cephem compounds GLAXO GROUP LIMITED (GB) 2019-01-08 US disclosed
US-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2017-10-05 US disclosed
US-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2017-10-05 US disclosed
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LTD (GB) 2015-10-22 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 (3 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-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS CEP170, CES2, CMBL KCNH2 2246/4885MCHR1 4370/4885HRH3 3855/4885
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS CEP170, ABL1, CEPT1 KCNH2 178/4885MCHR1 2741/4885HRH3 787/4885
US-10174053-B2 2 substituted cephem compounds CEP170, CES2, CMBL KCNH2 2246/4885MCHR1 4370/4885HRH3 3855/4885

“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.