SCHEMBL18211417

SCHEMBL18211417

COc1cc(N=Nc2ccc(C)cc2[N+](=O)[O-])c(C)cc1N=Nc1ccc(CC(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.38
▸ LMNA P02545 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CYP1A2 P05177 3/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP2D6 P10635 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ PDE7A Q13946 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL12133354 0.92 ALDH1A1 (0.36) ALDH1A1LMNAMAPTMAPK1CYP1A2
SCHEMBL24594401 0.89 ALDH1A1 (0.43) ALDH1A1LMNAMAPTMAPK1CYP1A2
SCHEMBL10079080 0.89 ALDH1A1 (0.43) ALDH1A1LMNAMAPTMAPK1CYP1A2
SCHEMBL13644724 0.85 ALDH1A1 (0.38) ALDH1A1LMNAMAPTMAPK1CYP1A2
SCHEMBL19041078 0.85 ALDH1A1 (0.40) ALDH1A1LMNAMAPTMAPK1CYP1A2
SCHEMBL21339523 0.85 ALDH1A1 (0.40) ALDH1A1LMNAMAPTMAPK1CYP1A2
SCHEMBL24594127 0.84 ALDH1A1 (0.43) ALDH1A1LMNAMAPTMAPK1CYP1A2
SCHEMBL13593603 0.84 ALDH1A1 (0.43) ALDH1A1LMNAMAPTMAPK1CYP1A2
SCHEMBL16905357 0.84 ALDH1A1 (0.37) ALDH1A1LMNAMAPTMAPK1CYP1A2
SCHEMBL16908127 0.83 ALDH1A1 (0.37) ALDH1A1LMNAMAPTMAPK1CYP1A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160326576-A1 DUAL QUENCHER PROBES BIOSEARCH TECHNOLOGIES, INC. 2016-11-10 — — 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 (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-20160326576-A1 DUAL QUENCHER PROBES DNA2, WRN, DDX42 ALDH1A1 2840/4885LMNA 696/4885MAPT 4416/4885

“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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