SCHEMBL9975392

SCHEMBL9975392

COC(=O)C(C)c1cc(Cl)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
PDK1 Q15118 1/20 0.40
HPGD P15428 2/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 2/20 0.39
RAF1 P04049 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
GFER P55789 1/20 0.39
PAX8 Q06710 1/20 0.39
HCAR3 P49019 1/20 0.38
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL948375 0.82 ALDH1A1 (0.51) ALDH1A1HPGDLMNAMAPTMAPK1
SCHEMBL13465753 0.80 ALDH1A1 (0.43) ALDH1A1PDK1HPGDGAALMNA
SCHEMBL7749462 0.80 ALDH1A1 (0.43) ALDH1A1PDK1HPGDLMNARAF1
SCHEMBL2129944 0.78 ALDH1A1 (0.49) ALDH1A1HPGDLMNAMAPTMAPK1
SCHEMBL10776686 0.78 ALDH1A1 (0.49) ALDH1A1PDK1HPGDGAAMAPT
SCHEMBL9975340 0.77 ALDH1A1 (0.40) ALDH1A1HPGDGAALMNARAF1
SCHEMBL11105264 0.77 PDK1 (0.49) ALDH1A1PDK1MAPK1CYP3A4
SCHEMBL10773283 0.77 ALDH1A1 (0.49) ALDH1A1HPGDGAALMNAMAPT
SCHEMBL10773281 0.77 ALDH1A1 (0.58) ALDH1A1GAAMAPTCYP1A2
SCHEMBL732920 0.77 MAPT (0.50) ALDH1A1HPGDGAALMNARAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120270827-A1 Indole Antiviral Compositions And Methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-25 US disclosed
US-8202844-B2 Indole antiviral compositions and methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-06-19 US disclosed
US-20110178038-A1 Indole Antiviral Compositions And Methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-21 US disclosed
US-7928080-B2 Indole antiviral compositions and methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-04-19 US disclosed
US-7625871-B2 Indole antiviral compositions and methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-12-01 US disclosed
US-20090281052-A1 Indole Antiviral Compositions And Methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-11-12 US disclosed
US-7419963-B2 Indole antiviral compositions and methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-09-02 US disclosed
US-20080146517-A1 Indole Antiviral Compositions And Methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-06-19 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 (4 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-20090281052-A1 Indole Antiviral Compositions And Methods IDO1, IDO2, MAVS ALDH1A1 1330/4885PDK1 3033/4885HPGD 1448/4885
US-20120270827-A1 Indole Antiviral Compositions And Methods IDO1, IDO2, MAVS ALDH1A1 1330/4885PDK1 3033/4885HPGD 1448/4885
US-20080146517-A1 Indole Antiviral Compositions And Methods IDO1, IDO2, MAVS ALDH1A1 1330/4885PDK1 3033/4885HPGD 1448/4885
US-20110178038-A1 Indole Antiviral Compositions And Methods IDO1, IDO2, MAVS ALDH1A1 1330/4885PDK1 3033/4885HPGD 1448/4885

“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.