SCHEMBL12075034

SCHEMBL12075034

C[n+]1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 2/20 0.43
▸ KMT2A Q03164 2/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ SLC22A2 O15244 1/20 0.38
▸ SLC22A1 O15245 1/20 0.38
▸ SLC22A3 O75751 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ATM Q13315 2/20 0.36
▸ ACHE P22303 3/20 0.36
▸ PGR P06401 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ RAB9A P51151 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ RCE1 Q9Y256 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 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
Trifluoromethanesulfonic Acid SCHEMBL29657137 0.82 PTPN1 (0.43) TERTACHE
Trifluoromethanesulfonic Acid SCHEMBL23356567 0.82 PTPN1 (0.43) TERTACHE
SCHEMBL14904037 0.81 PTGS2 (0.35) TERTKMT2ASLC22A2SLC22A1SLC22A3
SCHEMBL14903957 0.79 RAB9A (0.38) TERTKMT2APARP1KDM4EHTT
SCHEMBL12074073 0.78 FYN (0.41) KMT2AKDM4EHTTSMN1; SMN2ACHE
SCHEMBL12075024 0.77 MEN1 (0.39) KMT2APARP1KDM4EHTTSMN1; SMN2
SCHEMBL11933620 0.75 TERT (0.41) TERTKMT2AHTTATMACHE
SCHEMBL12074240 0.74 ACHE (0.54) TERTSLC22A2SLC22A1SLC22A3SLC6A4
SCHEMBL11933621 0.74 CA12 (0.44) TERTKDM4ERAB9ARCE1CA1
SCHEMBL2008748 0.73 PARP1 (0.50) KMT2APARP1KDM4EATMPGR

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-9102617-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-11 — — US disclosed
US-20130109713-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2013-05-02 — — US disclosed
US-20130109713-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2013-05-02 — — US disclosed
WO-2011163610-A2 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-29 — — 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 (1 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-20130109713-A1 ANTIMICROBIAL AGENTS RPS4X, RPS4Y1, MRPL21 TERT 1656/4885KMT2A 2742/4885PARP1 2321/4885

“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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