SCHEMBL1154850

SCHEMBL1154850

COC(=O)COCc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
PTGS2 P35354 1/20 0.50
RAB9A P51151 3/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
MMP2 P08253 1/20 0.49
POLB P06746 1/20 0.47
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
NPC1 O15118 2/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL17875235 0.95 ALDH1A1 (0.50) ALDH1A1PTGS2RAB9ACA1CA2
SCHEMBL13241990 0.91 CYP4F2 (0.46) ALDH1A1RAB9ANPC1MAPTKMT2A
SCHEMBL13967502 0.84 ALDH1A1 (0.49) ALDH1A1RAB9APOLBNPC1MAPT
SCHEMBL29105138 0.84 RAB9A (0.53) ALDH1A1RAB9ACA1CA2CA9
SCHEMBL4706402 0.82 HTT (0.56) ALDH1A1RAB9ACA1CA2POLB
SCHEMBL5491116 0.82 LOXL2 (0.53) ALDH1A1RAB9AMAOBNPC1GAA
SCHEMBL9358412 0.81 MAOA (0.51) ALDH1A1RAB9ACA1CA2CA9
SCHEMBL1171919 0.81 TSHR (0.52) ALDH1A1RAB9ANPC1MAPT
SCHEMBL12561399 0.81 POLB (0.62) ALDH1A1RAB9ACA1CA2CA9
SCHEMBL23605967 0.80 PTGS2 (0.68) ALDH1A1PTGS2RAB9AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3121176-A1 2,4-DIAMINOQUINAZOLINES FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY Families of Spinal Muscular Atrophy (US) 2017-01-25 EP disclosed
EP-1765810-B1 2,4-DIAMINOQUINAZOLINES FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2016-08-17 EP disclosed
EP-2514748-B1 2,4-diaminoquinazolines for spinal muscular atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2016-08-10 EP disclosed
US-20160152577-A1 2,4-Diaminoquinazolines for Spinal Muscular Atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2016-06-02 US disclosed
US-9067897-B2 2,4-Diaminoquinazolines for spinal muscular atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2015-06-30 US disclosed
EP-2514748-A1 2,4-diaminoquinazolines for spinal muscular atrophy Families of Spinal Muscular Atrophy (US) 2012-10-24 EP disclosed
US-20110112118-A1 2,4-Diaminoquinazolines for Spinal Muscular Atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2011-05-12 US disclosed
US-7888366-B2 2,4-diaminoquinazolines for spinal muscular atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2011-02-15 US disclosed
EP-1765810-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY Decode Chemistry, Inc. (US) 2007-03-28 EP disclosed
WO-2005123724-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY DECODE CHEMISTRY, INC. (US) 2005-12-29 WO disclosed
US-20050288314-A1 2,4-diaminoquinazolines for spinal muscular atrophy DECODE CHEMISTRY, INC. (US) 2005-12-29 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 (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-20110112118-A1 2,4-Diaminoquinazolines for Spinal Muscular Atrophy SMN1; SMN2, MUSK, MYO3B ALDH1A1 1696/4885PTGS2 3674/4885RAB9A 1250/4885
US-20160152577-A1 2,4-Diaminoquinazolines for Spinal Muscular Atrophy SMN1; SMN2, MUSK, MYO3B ALDH1A1 1696/4885PTGS2 3674/4885RAB9A 1250/4885
US-20050288314-A1 2,4-diaminoquinazolines for spinal muscular atrophy SMN1; SMN2, MUSK, MYO3B ALDH1A1 1696/4885PTGS2 3674/4885RAB9A 1250/4885

“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.