SCHEMBL482170

SCHEMBL482170

CC(C)(C)Oc1ncccc1Br

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
RIPK1 Q13546 1/20 0.36
ALDH1A1 P00352 1/20 0.35
PDE10A Q9Y233 5/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
DRD1 P21728 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
APLNR P35414 1/20 0.33
AXL P30530 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL23934738 0.85 ALDH1A1 (0.37) GAAALDH1A1PDE10ASMN1; SMN2LMNA
SCHEMBL20428062 0.85 ALDH1A1 (0.34) GAAALDH1A1PDE10ASMN1; SMN2LMNA
SCHEMBL21771191 0.82 PDE10A (0.36) ALDH1A1PDE10ADRD1RAB9A
SCHEMBL3820870 0.82 ALDH1A1 (0.39) GAARIPK1ALDH1A1
SCHEMBL21384474 0.82 TLR7 (0.37) ALDH1A1PDE10ASMN1; SMN2LMNADRD1
SCHEMBL16134181 0.78 NOS3 (0.43) GAARIPK1NPC1RAB9A
SCHEMBL20428065 0.77 PDE10A (0.32) ALDH1A1PDE10ASMN1; SMN2LMNANPC1
SCHEMBL30181916 0.77
SCHEMBL610170 0.77
SCHEMBL3878940 0.76 PDE10A (0.43) ALDH1A1PDE10ASMN1; SMN2LMNADRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105324379-B Benzimidazole derivatives as bromodomain inhibitors 吉利德科学公司 2018-12-04 CN disclosed
CN-108884093-A 6,7,8,9- tetrahydro -5H- pyrido [2,3-d] azepine * dopamine D 3 ligands 辉瑞公司 2018-11-23 CN 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
CN-105924386-A Antiviral Compounds And Uses Thereof ABBVIE 公司 2016-09-07 CN disclosed
US-9353091-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2016-05-31 US disclosed
CN-102448920-B Antiviral compounds and uses thereof ABBVIE (US) 2016-04-06 CN 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
CN-102448920-A Antiviral compounds and uses thereof ABBOTT LAB 2012-05-09 CN disclosed
US-20120082646-A1 Antiviral Compounds And Uses Thereof ABBOTT LABORATORIES (US) 2012-04-05 US disclosed
EP-2411352-A2 ANTIVIRAL COMPOUNDS AND USES THEREOF Abbott Laboratories (US) 2012-02-01 EP disclosed
WO-2010111436-A2 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-09-30 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 (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-20150056164-A1 Antiviral Compounds and Uses Thereof MAVS, ZC3HAV1, EIF2AK2 GAA 246/4885RIPK1 1518/4885ALDH1A1 2957/4885
US-20160368905-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF MAVS, ZC3HAV1, EIF2AK2 GAA 246/4885RIPK1 1518/4885ALDH1A1 2957/4885
US-20120082646-A1 Antiviral Compounds And Uses Thereof MAVS, ZC3HAV1, EIF2AK2 GAA 246/4885RIPK1 1518/4885ALDH1A1 2957/4885

“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.