SCHEMBL9975341

SCHEMBL9975341

C=CCC(C(=O)OC)c1cc(Cl)c(Cl)cc1N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
TSHR P16473 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2C19 P33261 1/20 0.33
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
SLC6A3 Q01959 3/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
ABL1 P00519 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL9975340 0.79 ALDH1A1 (0.40) LMNAALDH1A1GAACYP2C19TDP1
SCHEMBL11851631 0.78 HPGD (0.43) LMNAALDH1A1GAACYP2C19L3MBTL1
SCHEMBL11857485 0.77 CASP1 (0.45) ALDH1A1CYP2C19NOS3NOS1NOS2
SCHEMBL624561 0.76 SLC6A3 (0.49) LMNAALDH1A1SLC6A3SLC6A2SLC6A4
SCHEMBL5879125 0.76 SLC6A3 (0.49) LMNAALDH1A1SLC6A3SLC6A2SLC6A4
SCHEMBL5879124 0.76 SLC6A3 (0.49) LMNAALDH1A1SLC6A3SLC6A2SLC6A4
SCHEMBL2270371 0.76 NR3C2 (0.46)
SCHEMBL9975393 0.74 CA12 (0.40) LMNAGAATSHRCA12CA1
SCHEMBL7503177 0.70 SLC6A3 (0.39) LMNAALDH1A1CYP2C19SLC6A3SLC6A2
SCHEMBL7244093 0.70 ALDH1A1 (0.43) LMNAALDH1A1GAACA1CA2

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 LMNA 3100/4885ALDH1A1 1330/4885GAA 2018/4885
US-20120270827-A1 Indole Antiviral Compositions And Methods IDO1, IDO2, MAVS LMNA 3100/4885ALDH1A1 1330/4885GAA 2018/4885
US-20080146517-A1 Indole Antiviral Compositions And Methods IDO1, IDO2, MAVS LMNA 3100/4885ALDH1A1 1330/4885GAA 2018/4885
US-20110178038-A1 Indole Antiviral Compositions And Methods IDO1, IDO2, MAVS LMNA 3100/4885ALDH1A1 1330/4885GAA 2018/4885

“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.