SCHEMBL2165684

SCHEMBL2165684

O=C(O)[C@H]1CC[C@H](C(=O)c2cccc(Cl)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.59
MGLL Q99685 1/20 0.56
KDM2B Q8NHM5 4/20 0.55
HSD11B1 P28845 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NOTUM Q6P988 1/20 0.50
ALDH1A1 P00352 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PARP1 P09874 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
GRM5 P41594 2/20 0.47

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
SCHEMBL2165691 1.00 NPSR1 (0.59) NPSR1MGLLKDM2BHSD11B1MEN1
SCHEMBL17398601 0.93 NPSR1 (0.66) NPSR1MGLLKDM2BHSD11B1MEN1
SCHEMBL31375622 0.86 KDM2B (0.69) NPSR1MGLLKDM2BHSD11B1MEN1
SCHEMBL16409435 0.86 KDM2B (0.69) NPSR1MGLLKDM2BHSD11B1MEN1
SCHEMBL2080623 0.85 KDM2B (0.68) NPSR1MGLLKDM2BHSD11B1MEN1
SCHEMBL953570 0.83 NPSR1 (0.59) NPSR1MGLLKDM2BHSD11B1MEN1
Hydrochloric Acid SCHEMBL15567275 0.82 NPSR1 (0.58) NPSR1MGLLKDM2BHSD11B1MEN1
SCHEMBL4676459 0.82 NPSR1 (0.58) NPSR1MGLLKDM2BHSD11B1MEN1
SCHEMBL3515355 0.80 NPC1 (0.52) MGLLHSD11B1MEN1KMT2AALDH1A1
SCHEMBL439217 0.80 NPC1 (0.52) MGLLHSD11B1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069316-B1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2015-10-07 EP disclosed
EP-2615086-A1 2,4-Diaminoquinazolines for the treatment of spinal muscular atrophy Families of Spinal Muscular Atrophy (US) 2013-07-17 EP disclosed
US-7985755-B2 2,4-diaminoquinazolines for spinal muscular atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2011-07-26 US disclosed
US-20090042900-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY DECODE CHEMISTRY, INC. (US) 2009-02-12 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 (1 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-20090042900-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY SMN1; SMN2, MUSK, MYT1 NPSR1 4639/4885MGLL 4811/4885KDM2B 313/4885

“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.