SCHEMBL17192041

SCHEMBL17192041

Cc1cc2ncn(CCCCl)c(=O)c2c(Cl)c1C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNF P01375 5/20 0.47
LMNA P02545 5/20 0.43
MAPT P10636 2/20 0.41
ADORA2B P29275 2/20 0.41
HTT P42858 2/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
KCNH2 Q12809 1/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 1/20 0.37
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 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
SCHEMBL17192042 0.85 TNF (0.43) TNFLMNAL3MBTL1TP53HTR1A
SCHEMBL15671151 0.78 TNF (0.45) TNFMAPTADORA2B
SCHEMBL15670874 0.77 TNF (0.72) TNFMAPTADORA2BALDH1A1HTR1A
SCHEMBL17192045 0.75 TNF (0.35) TNFLMNAMAPTHTTUSP2
SCHEMBL9037446 0.73 LMNA (0.76) LMNAMAPTHTTUSP2ALDH1A1
SCHEMBL15670992 0.71 TNF (0.41) TNFMAPTADORA2B
SCHEMBL15671045 0.70 TNF (0.67) TNFMAPTADORA2BALDH1A1KMT2A
SCHEMBL17192032 0.70 HDAC6 (0.46) TNFLMNAMAPTADORA2BALDH1A1
SCHEMBL24879062 0.67 KMT2A (0.51) TNFLMNAMAPTADORA2BUSP2
SCHEMBL15680398 0.66 TNF (0.56) TNFMAPTADORA2BUSP2ALDH1A1

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 2 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

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 TNF 2990/4885LMNA 2931/4885MAPT 1744/4885
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS CEP170, ABL1, CEPT1 TNF 1673/4885LMNA 3555/4885MAPT 2852/4885

“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.