SCHEMBL9975340

SCHEMBL9975340

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PKM P14618 2/20 0.35
HPGD P15428 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 1/20 0.34
RAF1 P04049 1/20 0.34
MAPK1 P28482 1/20 0.34
GFER P55789 1/20 0.34
PAX8 Q06710 1/20 0.34
CYP2C19 P33261 1/20 0.33
HCAR3 P49019 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL26931027 0.81 ALDH1A1 (0.44) ALDH1A1POLBTDP1MAPTLMNA
SCHEMBL30660344 0.81 ALDH1A1 (0.44) ALDH1A1POLBTDP1MAPTLMNA
SCHEMBL6891792 0.80 ALDH1A1 (0.62) ALDH1A1POLBTDP1PKMHPGD
SCHEMBL9975341 0.79 LMNA (0.34) ALDH1A1TDP1GAALMNACYP2C19
SCHEMBL9975392 0.77 ALDH1A1 (0.47) ALDH1A1HPGDGAAMAPTLMNA
SCHEMBL11851631 0.74 HPGD (0.43) ALDH1A1POLBHPGDGAAMAPT
SCHEMBL11857485 0.73 CASP1 (0.45) ALDH1A1HPGDCYP2C19
SCHEMBL7247220 0.73 ALDH1A1 (0.52) ALDH1A1POLBTDP1MAPTLMNA
SCHEMBL7749462 0.73 ALDH1A1 (0.43) ALDH1A1PKMHPGDMAPTLMNA
SCHEMBL5879125 0.72 SLC6A3 (0.49) ALDH1A1LMNASMN1; SMN2

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 1330/4885POLB 1169/4885TDP1 599/4885
US-20120270827-A1 Indole Antiviral Compositions And Methods IDO1, IDO2, MAVS ALDH1A1 1330/4885POLB 1169/4885TDP1 599/4885
US-20080146517-A1 Indole Antiviral Compositions And Methods IDO1, IDO2, MAVS ALDH1A1 1330/4885POLB 1169/4885TDP1 599/4885
US-20110178038-A1 Indole Antiviral Compositions And Methods IDO1, IDO2, MAVS ALDH1A1 1330/4885POLB 1169/4885TDP1 599/4885

“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.