SCHEMBL1155166

SCHEMBL1155166

COc1ccc(OCc2cccc([N+](=O)[O-])c2C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MAOB P27338 1/20 0.50
ALDH1A1 P00352 4/20 0.42
PTPN1 P18031 1/20 0.41
HPGD P15428 3/20 0.41
MAPT P10636 3/20 0.41
HTR1A P08908 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
MEN1 O00255 3/20 0.39
HTT P42858 2/20 0.39
CD274 Q9NZQ7 1/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
CRHBP P24387 1/20 0.39

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
SCHEMBL1154768 0.90 MAOB (0.50) KMT2ASMN1; SMN2NPC1RAB9AMAOB
SCHEMBL1155130 0.87 MAOB (0.47) KMT2ASMN1; SMN2NPC1RAB9AMAOB
SCHEMBL1155121 0.87 MAOB (0.47) KMT2ASMN1; SMN2NPC1RAB9AMAOB
SCHEMBL6542046 0.82 MAOB (0.70) KMT2ASMN1; SMN2NPC1RAB9AMAOB
SCHEMBL1155502 0.81 MAPT (0.46) KMT2ASMN1; SMN2NPC1RAB9AMAOB
SCHEMBL2420234 0.80 NPC1 (0.53) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1154867 0.80 MRGPRX4 (0.43) KMT2ASMN1; SMN2NPC1RAB9AMAOB
SCHEMBL619793 0.79 HTR1A (0.53) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2417213 0.77 ALDH1A1 (0.53) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1154799 0.77 CD274 (0.43) SMN1; SMN2NPC1RAB9AMAOBMAPT

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 KMT2A 91/4885SMN1; SMN2 1/4885NPC1 4388/4885
US-20160152577-A1 2,4-Diaminoquinazolines for Spinal Muscular Atrophy SMN1; SMN2, MUSK, MYO3B KMT2A 91/4885SMN1; SMN2 1/4885NPC1 4388/4885
US-20050288314-A1 2,4-diaminoquinazolines for spinal muscular atrophy SMN1; SMN2, MUSK, MYO3B KMT2A 91/4885SMN1; SMN2 1/4885NPC1 4388/4885

“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.