SCHEMBL12074763

SCHEMBL12074763

C1=C(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)C2=NCCN2c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 15/20 0.49
▸ DNMT1 P26358 1/20 0.48
▸ RAD52 P43351 1/20 0.48
▸ UHRF1 Q96T88 1/20 0.48
▸ SMARCA2 P51531 1/20 0.41
▸ EED O75530 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA4 P22748 1/20 0.37
▸ CA7 P43166 1/20 0.37

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
SCHEMBL14906859 0.74 PTAFR (0.45) PTAFRDNMT1RAD52UHRF1SMARCA2
SCHEMBL9693616 0.66 PTAFR (1.00) PTAFREED
SCHEMBL9694303 0.65 PTAFR (1.00) PTAFREED
SCHEMBL5121302 0.65 CA1 (0.66) PTAFRDNMT1RAD52UHRF1CA1
SCHEMBL10810584 0.64 CA1 (0.51) PTAFRDNMT1RAD52UHRF1SMARCA2
Hydrochloric Acid SCHEMBL1697524 0.63 CA1 (0.64) PTAFRDNMT1RAD52UHRF1CA1
SCHEMBL8295470 0.62 CA1 (0.54) PTAFRCA1CA2CA4CA7
SCHEMBL29039568 0.61 PTAFR (0.44) PTAFRDNMT1RAD52UHRF1CA1
SCHEMBL1598936 0.61 DNMT1 (0.43) PTAFRDNMT1RAD52UHRF1EED
SCHEMBL12797972 0.60 PTGS2 (0.45) PTAFRDNMT1RAD52UHRF1CA1

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-9102617-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-11 — — US disclosed
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 PTAFR 4433/4885DNMT1 3066/4885RAD52 2077/4885

“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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