SCHEMBL2970853

SCHEMBL2970853

COc1cccc(-c2ccc(C)cc2[N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.54
▸ MAPT P10636 3/20 0.54
▸ NPC1 O15118 1/20 0.52
▸ CASP3 P42574 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ SENP7 Q9BQF6 1/20 0.52
▸ MAOB P27338 2/20 0.49
▸ TSHR P16473 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ ALKBH3 Q96Q83 1/20 0.47
▸ FBP1 P09467 2/20 0.46
▸ ACHE P22303 1/20 0.46
▸ HPGD P15428 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ MCOLN3 Q8TDD5 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL2957169 0.84 NPC1 (0.70) ALDH1A1MAPTNPC1CASP3RAB9A
SCHEMBL2955704 0.84 ALDH1A1 (0.54) ALDH1A1MAPTNPC1RAB9AMAOB
SCHEMBL30785680 0.84 NPC1 (0.70) ALDH1A1MAPTNPC1CASP3RAB9A
SCHEMBL14469794 0.81 NPC1 (0.51) ALDH1A1NPC1CASP3RAB9ASENP7
SCHEMBL30115292 0.80 ALDH1A1 (0.52) ALDH1A1MAPTNPC1CASP3RAB9A
SCHEMBL2960968 0.80 ALDH1A1 (0.61) ALDH1A1MAPTNPC1RAB9AMAOB
SCHEMBL99419 0.79 ALDH1A1 (0.57) ALDH1A1MAPTNPC1CASP3RAB9A
SCHEMBL7555581 0.79 NPC1 (0.51) ALDH1A1MAPTNPC1CASP3RAB9A
SCHEMBL27292647 0.78 RAB9A (0.60) ALDH1A1MAPTNPC1CASP3RAB9A
SCHEMBL4408350 0.78 FBP1 (0.52) ALDH1A1MAPTNPC1CASP3RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 — — US disclosed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 — — US disclosed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 — — EP disclosed
US-7763731-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2010-07-27 — — US disclosed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 — — EP disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 — — US disclosed
WO-2007076035-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 — — 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 (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-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 ALDH1A1 2723/4885MAPT 1347/4885NPC1 37/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 ALDH1A1 2723/4885MAPT 1347/4885NPC1 37/4885

“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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