SCHEMBL159046

SCHEMBL159046

CC(C)(C)NC(=O)c1cccc([O])c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 3/20 0.49
KDM1A O60341 1/20 0.49
NPC1 O15118 2/20 0.49
HTT P42858 2/20 0.49
RAB9A P51151 2/20 0.49
ANO1 Q5XXA6 3/20 0.48
ALDH1A1 P00352 1/20 0.48
S100B P04271 1/20 0.47
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL21249304 0.88 LMNA (0.58) LMNACYP2C19KMT2ANPC1HTT
SCHEMBL13701798 0.85 HDAC8 (0.65) LMNACYP2C19KMT2ANPC1HTT
SCHEMBL10260916 0.81 CYP2C19 (0.71) CYP2C19KMT2ANPC1RAB9AMEN1
SCHEMBL22524754 0.81 LMNA (0.56) LMNACYP2C19KMT2ANPC1HTT
SCHEMBL159047 0.81 KDM4E (0.61) LMNACYP2C19KMT2ANPC1HTT
SCHEMBL13701766 0.81 S100B (0.60) LMNACYP2C19KMT2ANPC1HTT
SCHEMBL13701631 0.81 HDAC8 (0.54) LMNACYP2C19KMT2ANPC1HTT
SCHEMBL162858 0.80 HDAC8 (0.68) KMT2AHTTALDH1A1GAAMEN1
SCHEMBL263765 0.80 ALDH1A1 (0.70) LMNACYP2C19KMT2ANPC1HTT
SCHEMBL22693317 0.80 LMNA (0.51) LMNACYP2C19KMT2AKDM1ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
EP-2611437-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS UNIV KYOTO (JP) 2017-03-29 EP disclosed
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2013-08-29 US disclosed
EP-2611437-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2013-07-10 EP disclosed
WO-2012029994-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2012-03-08 WO disclosed
US-5366856-A Cyan couplers, improved color reproduction FUJI PHOTO FILM CO., LTD. (JP) 1994-11-22 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-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS SMN1; SMN2, SOD1, SOD3 LMNA 462/4885CYP2C19 4178/4885KMT2A 2544/4885

“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.