SCHEMBL900880

SCHEMBL900880

Cc1ccc(OC(F)F)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
GAA P10253 2/20 0.48
MAPT P10636 5/20 0.48
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CYP3A4 P08684 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CRHR1 P34998 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
SCN9A Q15858 1/20 0.39
SLC6A4 P31645 2/20 0.39
HTR2A P28223 1/20 0.39
KCNH2 Q12809 1/20 0.39
SLC6A2 P23975 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
SCHEMBL900747 0.84 MCL1 (0.50) LMNAGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL3721647 0.82 LMNA (0.53) LMNAGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL2142119 0.81 TDP1 (0.55) LMNAGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL31094911 0.79 MAPT (0.41) LMNAGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL5638960 0.79 MAPT (0.41) LMNAGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL4107037 0.79 SMN1; SMN2 (0.66) LMNAGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL19758134 0.78 SMN1; SMN2 (0.54) LMNAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL12474305 0.78 ALDH1A1 (0.42) LMNAGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL12180428 0.78 MEN1 (0.44) LMNAGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL25411980 0.77 LMNA (0.43) LMNAGAAMAPTALDH1A1SMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621922-A1 A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS BASF SE (DE) 2013-08-07 EP disclosed
WO-2012041858-A1 A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS BASF SE (DE) 2012-04-05 WO disclosed
US-7893085-B2 3-(4-Bromo-2-fluoro-phenylamino)-thieno[3,2-c]pyridine-2-carboxylic acid (2,2-dimethyl-[1,3]dioxolan-4-ylmethoxy)-amide; mitogen activated protein extracellular kinase kinase (MEK) inhibitor; antiproliferative, antiinflammatory agent GENENTECH, INC (US) 2011-02-22 US disclosed
US-7855216-B2 Aza-indolyl compounds and methods of use GENENTECH, INC. (US) 2010-12-21 US disclosed
US-20080242655-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2008-10-02 US disclosed
US-20080107608-A1 5-Substituted-2-Arylpyridines GE PING 2008-05-08 US disclosed
US-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide GENENTECH, INC. 2008-04-10 US disclosed
US-20080081821-A1 AZA-benzothiophenyl compounds and methods of use GENENTECH, INC. 2008-04-03 US disclosed
US-20080015196-A1 Imidazopyrazines, Imidazopyridines, and Imidazopyrimidines as Crf1 Receptor Ligands NEUROGEN CORPORATION (US) 2008-01-17 US disclosed
US-7223778-B2 5-substituted-2-arylpyridines NEUROGEN CORPORATION (US) 2007-05-29 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 (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-20080081821-A1 AZA-benzothiophenyl compounds and methods of use MKI67, CDKN1A, MAP3K1 LMNA 2872/4885GAA 1805/4885MAPT 4361/4885
US-20080242655-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE CDKN1A, MKI67, CCNI LMNA 1746/4885GAA 2671/4885MAPT 4374/4885
US-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide MAP3K2, MAP3K1, MAP2K2 LMNA 3058/4885GAA 3106/4885MAPT 4315/4885
US-20080015196-A1 Imidazopyrazines, Imidazopyridines, and Imidazopyrimidines as Crf1 Receptor Ligands CRHR1, CRHR2, CRHBP LMNA 1771/4885GAA 3502/4885MAPT 3153/4885
US-20080107608-A1 5-Substituted-2-Arylpyridines CRHR2, CRHR1, HTR2C LMNA 893/4885GAA 2351/4885MAPT 2953/4885

“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.