SCHEMBL162474

SCHEMBL162474

CC(C)(C)NC(=O)c1cc([O])c2cc3ccccc3cc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RIPK1 Q13546 1/20 0.42
IMPDH2 P12268 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
HPGDS O60760 1/20 0.41
SYK P43405 1/20 0.41
PLK4 O00444 1/20 0.40
CHEK1 O14757 1/20 0.40
AURKA O14965 1/20 0.40
DAPK3 O43293 1/20 0.40
CHEK2 O96017 1/20 0.40
CDK1 P06493 1/20 0.40
PIM1 P11309 1/20 0.40
RPS6KB1 P23443 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
MAPK9 P45984 1/20 0.40
CSNK1D P48730 1/20 0.40

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
SCHEMBL162355 0.88 IMPDH2 (0.47) MEN1KMT2ARIPK1IMPDH2MAOA
SCHEMBL163477 0.83 PLK1 (0.44) RIPK1HPGDSSMN1; SMN2
SCHEMBL162200 0.80 IMPDH2 (0.46) MEN1KMT2ARIPK1IMPDH2MAOA
SCHEMBL163498 0.79 HDAC3 (0.43) MEN1KMT2ARIPK1HPGDS
SCHEMBL165080 0.79 BRD4 (0.43) MEN1KMT2ARIPK1MAOAMAOB
SCHEMBL7759631 0.78 NPC1 (0.55) MEN1KMT2AIMPDH2HPGDSLMNA
SCHEMBL160436 0.77 HDAC3 (0.51) KMT2ARIPK1SMN1; SMN2EPHX1
SCHEMBL162792 0.77 TSHR (0.47) MEN1KMT2ALMNA
SCHEMBL163995 0.77 ABCG2 (0.38) MEN1KMT2AHPGDS
SCHEMBL162512 0.76 KMT2A (0.54) MEN1KMT2AMAOBLMNASMN1; SMN2

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 MEN1 4776/4885KMT2A 2544/4885RIPK1 2810/4885

“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.