SCHEMBL162200

SCHEMBL162200

CC(C)(C)NC(=O)c1cc([O])c2ccc3ccccc3c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.46
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
MAPT P10636 1/20 0.44
PLK4 O00444 1/20 0.44
CHEK1 O14757 1/20 0.44
AURKA O14965 1/20 0.44
DAPK3 O43293 1/20 0.44
CHEK2 O96017 1/20 0.44
CDK1 P06493 1/20 0.44
PIM1 P11309 1/20 0.44
RPS6KB1 P23443 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
MAPK9 P45984 1/20 0.44
CSNK1D P48730 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
JAK3 P52333 1/20 0.44
CSNK2A1 P68400 1/20 0.44

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
SCHEMBL163276 0.85 ALDH1A1 (0.51) ALDH1A1HPGDMAPTKDM4ENPC1
SCHEMBL162355 0.85 IMPDH2 (0.47) IMPDH2ALDH1A1HPGDMAPTPLK4
SCHEMBL162219 0.81 NCEH1 (0.48) ALDH1A1HPGDMAPTKDM4ENPC1
SCHEMBL161821 0.81 ALDH1A1 (0.44) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL162474 0.80 MEN1 (0.46) IMPDH2MAPTPLK4CHEK1AURKA
SCHEMBL163714 0.78 ALDH1A1 (0.48) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL166312 0.78 ALDH1A1 (0.47) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL163117 0.78 ALDH1A1 (0.44) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL163280 0.77 KMT2A (0.51) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL162740 0.77 ALDH1A1 (0.49) ALDH1A1HPGDMAPTMEN1KMT2A

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 5 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

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 IMPDH2 4443/4885ALDH1A1 1667/4885HPGD 2718/4885

“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.