SCHEMBL17193116

SCHEMBL17193116

Cc1cc2ccccc2[n+](C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 2/20 0.44
▸ CYP2A6 P11509 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ ATM Q13315 3/20 0.41
▸ ACHE P22303 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RAD52 P43351 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CYP2D6 P10635 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL11933620 0.77 TERT (0.41) TERTCYP2A6TDP1ATMACHE
SCHEMBL2796407 0.77 ATM (0.50) CYP2A6TDP1ATMCYP1A2MEN1
SCHEMBL9750621 0.77 TERT (0.43) TERTTDP1ATMACHEMEN1
SCHEMBL9935287 0.75 KMT2A (0.41) CYP2A6TDP1ATMACHEMEN1
Iodide SCHEMBL32685231 0.75 TERT (0.37) TERTCYP2A6TDP1ATMACHE
SCHEMBL15828571 0.74 TERT (0.41) TERTATMACHEMEN1KMT2A
SCHEMBL25803712 0.74 CYP2A6 (0.39) CYP2A6TDP1ATMCYP1A2MEN1
SCHEMBL10256989 0.72 ACHE (0.59) TERTCYP2A6TDP1ACHECYP1A2
SCHEMBL10257318 0.72 HDAC8 (0.40) TERTCYP2A6ATMACHEMEN1
Iodide SCHEMBL21814319 0.72 TERT (0.54) TERTATMACHEMEN1KMT2A

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 TERT 2572/4885CYP2A6 266/4885TDP1 3582/4885
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS CEP170, ABL1, CEPT1 TERT 3952/4885CYP2A6 1610/4885TDP1 4200/4885

“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.

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