SCHEMBL482274

SCHEMBL482274

CC(C)(C)c1cc(I)ccc1N

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC6A4 P31645 4/20 0.33
SLC6A2 P23975 3/20 0.33
PGR P06401 1/20 0.33
ALOX15 P16050 3/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
ATP2A2 P16615 1/20 0.32
ATP2A3 Q93084 1/20 0.32
NR1I2 O75469 1/20 0.31
LMNA P02545 1/20 0.31
CYP2C9 P11712 1/20 0.31
MIF P14174 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
SCHEMBL15132134 0.78 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2MAPTALOX15KDM4E
SCHEMBL786516 0.77 FFAR4 (0.40) ALDH1A1SMN1; SMN2GAAFFAR1FFAR4
SCHEMBL29354776 0.77 FFAR4 (0.40) ALDH1A1SMN1; SMN2GAAFFAR1FFAR4
SCHEMBL2154357 0.76 PGR (0.50) ALDH1A1SMN1; SMN2MAPTMEN1GAA
SCHEMBL22140210 0.76 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2MAPTALOX15KDM4E
SCHEMBL9503147 0.76 TSHR (0.43) ALDH1A1SMN1; SMN2MAPTMEN1GAA
SCHEMBL13990327 0.74 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2MAPTALOX15KDM4E
SCHEMBL21692815 0.74 CYP1A2 (0.35) ALDH1A1SMN1; SMN2MAPTALOX15KDM4E
SCHEMBL2201086 0.74 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAPTMEN1GAA
SCHEMBL10216057 0.74 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2MAPTPKMALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023225324-A1 METHODS AND COMPOSITIONS FOR TREATING FATTY LIVER AND VIRAL INFECTIONS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-11-23 WO disclosed
US-9637478-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2017-05-02 US disclosed
EP-2411352-B1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBVIE INC (US) 2017-01-18 EP disclosed
US-20160368905-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBOTT LABORATORIES 2016-12-22 US disclosed
US-9353091-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2016-05-31 US disclosed
US-20150056164-A1 Antiviral Compounds and Uses Thereof ABBVIE INC. (US) 2015-02-26 US disclosed
US-8748443-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2014-06-10 US disclosed
WO-2013090929-A1 AMINO QUINOLINE DERIVATIVES INHIBITORS OF HCV GILEAD SCIENCES, INC. (US) 2013-06-20 WO disclosed
US-20120082646-A1 Antiviral Compounds And Uses Thereof ABBOTT LABORATORIES (US) 2012-04-05 US disclosed
US-20120053148-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. (US) 2012-03-01 US disclosed
EP-2411352-A2 ANTIVIRAL COMPOUNDS AND USES THEREOF Abbott Laboratories (US) 2012-02-01 EP disclosed
WO-2011156610-A2 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. (US) 2011-12-15 WO disclosed
WO-2010111436-A2 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-09-30 WO disclosed
CN-101531598-A Tert-butyl benzidine and preparation method thereof UNIV EAST CHINA SCIENCE & TECH 2009-09-16 CN disclosed
US-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents DIXON BRIAN R (US) 2003-11-06 US disclosed
US-6353006-B1 TREATMENT OF BONE DISORDERS, OSTEOPOROSIS AND HEALING AGENT BAYER CORPORATION 2002-03-05 US disclosed
EP-1144396-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS Bayer Corporation (US) 2001-10-17 EP disclosed
WO-2000042031-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS BAYER CORPORATION (US) 2000-07-20 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 (5 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-20150056164-A1 Antiviral Compounds and Uses Thereof MAVS, ZC3HAV1, EIF2AK2 ALDH1A1 2957/4885SMN1; SMN2 3928/4885MAPT 4152/4885
US-20120053148-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, FABP1, EIF2AK2 ALDH1A1 2132/4885SMN1; SMN2 4681/4885MAPT 4071/4885
US-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents PGR, PGRMC2, PGRMC1 ALDH1A1 587/4885SMN1; SMN2 4733/4885MAPT 4372/4885
US-20160368905-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF MAVS, ZC3HAV1, EIF2AK2 ALDH1A1 2957/4885SMN1; SMN2 3928/4885MAPT 4152/4885
US-20120082646-A1 Antiviral Compounds And Uses Thereof MAVS, ZC3HAV1, EIF2AK2 ALDH1A1 2957/4885SMN1; SMN2 3928/4885MAPT 4152/4885

“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.