SCHEMBL17181530

SCHEMBL17181530

COc1ccc(COc2cc3c(c(Cl)c2OCc2ccc(OC)cc2)c(=O)c(C(=O)NCCN2CCCC2)cn3C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
CACNA1G O43497 2/20 0.46
CYP2D6 P10635 2/20 0.45
HTR4 Q13639 1/20 0.43
HTR3A P46098 1/20 0.43
ACHE P22303 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
DRD2 P14416 2/20 0.41
DRD4 P21917 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL15991745 0.91 CACNA1G (0.44) POLBCACNA1GCYP2D6HTR4HTR3A
SCHEMBL15680338 0.91 CACNA1G (0.44) POLBCACNA1GCYP2D6HTR4HTR3A
SCHEMBL17181526 0.86 CACNA1G (0.40) POLBCACNA1GCYP2D6HTR4HTR3A
SCHEMBL17181366 0.86 SMN1; SMN2 (0.51) POLBCACNA1GCYP2D6HTR3AACHE
SCHEMBL14842605 0.84 CACNA1G (0.44) POLBCACNA1GCYP2D6HTR4HTR3A
SCHEMBL17192038 0.84 KDM4E (0.43) POLBALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL29556674 0.83 POLB (0.54) POLBCACNA1GCYP2D6HTR4HTR3A
SCHEMBL12381223 0.83 POLB (0.54) POLBCACNA1GCYP2D6HTR4HTR3A
SCHEMBL17181465 0.83 CHRM1 (0.44) POLBALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL15991610 0.82 HRH3 (0.45) MEN1KMT2ASMN1; SMN2HRH3HTT

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 5 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
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 POLB 655/4885CACNA1G 3611/4885CYP2D6 197/4885
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS CEP170, ABL1, CEPT1 POLB 840/4885CACNA1G 2247/4885CYP2D6 1194/4885
US-10174053-B2 2 substituted cephem compounds CEP170, CES2, CMBL POLB 655/4885CACNA1G 3611/4885CYP2D6 197/4885

“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.