SCHEMBL15680337

SCHEMBL15680337

COc1ccc(COc2cc3cnn(CC45CCN(CC4)CC5)c(=O)c3c(Cl)c2OCc2ccc(OC)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 16/20 0.39
MCHR1 Q99705 1/20 0.37
KIT P10721 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL15680636 0.88 NPBWR1 (0.39) NPBWR1MCHR1KIT
SCHEMBL15680547 0.84 CTSL (0.42) NPBWR1KITCTSLCTSB
SCHEMBL17181555 0.81 TNF (0.39) KITKDM4ELMNACYP1A2POLB
SCHEMBL15680495 0.79 CTSL (0.41) NPBWR1KITCTSLCTSB
SCHEMBL17181446 0.79 KDM4E (0.43) KDM4ELMNACYP3A4CYP2C9
SCHEMBL17192002 0.78 KIT (0.35) KITCTSLCTSBKDM4ELMNA
SCHEMBL17181429 0.76 TNF (0.38) KIT
SCHEMBL15680543 0.70 KDM4E (0.35) KDM4ELMNACYP1A2POLBCYP3A4
SCHEMBL15680282 0.70 GRM5 (0.40)
SCHEMBL15680553 0.69 HDAC6 (0.45) KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2014068388-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-05-08 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-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS CEP170, CES2, CMBL NPBWR1 4428/4885MCHR1 4370/4885KIT 4444/4885
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS CEP170, ABL1, CEPT1 NPBWR1 2311/4885MCHR1 2741/4885KIT 2043/4885

“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.