SCHEMBL19991749

SCHEMBL19991749

NCCCNCCCNc1ccc2nnn3c4ccccc4c(=O)c1c23

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 19/20 0.74
▸ NQO1 P15559 16/20 0.74
▸ MITF O75030 1/20 0.50

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
Hydrochloric Acid SCHEMBL18059760 0.99 NQO2 (0.73) NQO2NQO1MITF
SCHEMBL18059753 0.86 NQO2 (0.74) NQO2NQO1MITF
Hydrochloric Acid SCHEMBL20711060 0.85 NQO2 (0.72) NQO2NQO1MITF
Temacrazine SCHEMBL14259457 0.82 NQO2 (0.76) NQO2NQO1MITF
SCHEMBL8958309 0.79 NQO2 (0.69) NQO2NQO1
SCHEMBL9024299 0.78 NQO2 (0.49) NQO2NQO1
SCHEMBL13928512 0.77 NQO2 (0.76) NQO2NQO1
SCHEMBL9024179 0.75 NQO2 (0.48) NQO2NQO1
SCHEMBL14259715 0.74 NQO2 (0.62) NQO2NQO1MITF
Hydrochloric Acid SCHEMBL18059764 0.74 NQO2 (0.68) NQO2NQO1

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-10202349-B2 Asymmetric bis-acridines with antitumour activity and their uses Gdansk University of Technology (PL) 2019-02-12 — — US disclosed
US-20180086712-A1 ASYMMETRIC BIS-ACRIDINES WITH ANTITUMOUR ACTIVITY AND THEIR USES Gdansk University of Technology (PL) 2018-03-29 — — 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-10202349-B2 Asymmetric bis-acridines with antitumour activity and their uses MCL1, BAD, ACR NQO2 942/4885NQO1 641/4885MITF 1638/4885
US-20180086712-A1 ASYMMETRIC BIS-ACRIDINES WITH ANTITUMOUR ACTIVITY AND THEIR USES MCL1, ACR, BAD NQO2 983/4885NQO1 798/4885MITF 1480/4885

“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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