SCHEMBL2955704

SCHEMBL2955704

COc1ccc(-c2ccc(C)cc2[N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.54
▸ HPGD P15428 1/20 0.54
▸ HTR7 P34969 1/20 0.52
▸ TSHR P16473 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ ALKBH3 Q96Q83 2/20 0.50
▸ MAPT P10636 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ POLB P06746 1/20 0.45
▸ MCOLN3 Q8TDD5 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ APP P05067 1/20 0.44
▸ XDH P47989 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 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
SCHEMBL11739674 0.89 TSHR (0.53) ALDH1A1HPGDHTR7TSHRCYP3A4
SCHEMBL2336139 0.89 HTR7 (0.56) ALDH1A1HPGDHTR7MAPTKDM4E
SCHEMBL4259701 0.87 TSHR (0.62) ALDH1A1TSHRCYP3A4MAPTKDM4E
SCHEMBL29864864 0.87 TSHR (0.62) ALDH1A1TSHRCYP3A4MAPTKDM4E
SCHEMBL2970853 0.84 ALDH1A1 (0.54) ALDH1A1HPGDTSHRCYP3A4ALKBH3
SCHEMBL7250352 0.83 HTR7 (0.51) ALDH1A1HPGDHTR7MAPTKDM4E
SCHEMBL10134271 0.83 HTR7 (0.51) ALDH1A1HPGDHTR7ALKBH3MAPT
SCHEMBL11188343 0.83 HTR7 (0.54) ALDH1A1HTR7MAPTKDM4EMAPK1
SCHEMBL12722617 0.81 TSHR (0.55) TSHRCYP3A4MAPTMAOBKMT2A
SCHEMBL27930471 0.81 TSHR (0.59) ALDH1A1TSHRCYP3A4MAPTMAOB

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-8765738-B2 Carbazole compounds and therapeutic uses of the compounds INCURON, LLC (US) 2014-07-01 — — US disclosed
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 — — US disclosed
US-20110305661-A1 Carbazole Compounds and Therapeutic Uses of the Compounds INCURON, INC. 2011-12-15 — — 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
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 — — 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 (3 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 2723/4885HPGD 3704/4885HTR7 4545/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 ALDH1A1 2723/4885HPGD 3704/4885HTR7 4545/4885
US-20110305661-A1 Carbazole Compounds and Therapeutic Uses of the Compounds MALT1, PAICS, TPMT ALDH1A1 589/4885HPGD 208/4885HTR7 2034/4885

“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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