SCHEMBL1154768

SCHEMBL1154768

Cc1ccc(OCc2cccc([N+](=O)[O-])c2C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.50
MAPT P10636 4/20 0.43
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
KDM4A O75164 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
TLR8 Q9NR97 1/20 0.38
KCNH2 Q12809 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.38
AR P10275 1/20 0.38
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
CA12 O43570 1/20 0.37

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
SCHEMBL1155166 0.90 KMT2A (0.50) MAOBMAPTALDH1A1HPGDKMT2A
SCHEMBL1155130 0.87 MAOB (0.47) MAOBMAPTALDH1A1HPGDKMT2A
SCHEMBL1155121 0.87 MAOB (0.47) MAOBMAPTALDH1A1HPGDKMT2A
SCHEMBL1155502 0.83 MAPT (0.46) MAOBMAPTALDH1A1KMT2AMEN1
SCHEMBL17368204 0.82 MAOB (0.70) MAOBALDH1A1HPGDKMT2AMEN1
SCHEMBL1154867 0.80 MRGPRX4 (0.43) MAOBMAPTALDH1A1HPGDKMT2A
SCHEMBL2417213 0.77 ALDH1A1 (0.53) MAPTALDH1A1HPGDKMT2AMEN1
SCHEMBL1155105 0.77 KCNH2 (0.43) MAOBALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL1154524 0.76 MRGPRX4 (0.50) MAPTALDH1A1HPGDKMT2AMEN1
SCHEMBL2421032 0.76 ALDH1A1 (0.43) MAOBMAPTALDH1A1HPGDKMT2A

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 9 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
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 MAOB 493/4885MAPT 597/4885ALDH1A1 1696/4885
US-20160152577-A1 2,4-Diaminoquinazolines for Spinal Muscular Atrophy SMN1; SMN2, MUSK, MYO3B MAOB 493/4885MAPT 597/4885ALDH1A1 1696/4885
US-20050288314-A1 2,4-diaminoquinazolines for spinal muscular atrophy SMN1; SMN2, MUSK, MYO3B MAOB 493/4885MAPT 597/4885ALDH1A1 1696/4885

“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.