SCHEMBL161966

SCHEMBL161966

CC(C)(C)NC(=O)c1ccc2ccccc2c1[O]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
POLB P06746 1/20 0.49
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
LDHA P00338 1/20 0.45
PLK1 P53350 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4A O75164 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
WDR5 P61964 1/20 0.42
CXCR2 P25025 1/20 0.41
MMP3 P08254 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
P2RX1 P51575 1/20 0.41
P2RX3 P56373 1/20 0.41

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
SCHEMBL158637 0.92 KDM4E (0.46) KDM4EPOLBMAOAMAOBLDHA
SCHEMBL163283 0.86 MAOA (0.48) KDM4EPOLBMAOAMAOBMEN1
SCHEMBL6748580 0.85 WDR5 (0.56) KDM4EPOLBMAOAMAOBLDHA
SCHEMBL10719823 0.85 LDHA (0.59) KDM4ELDHAMEN1KMT2AKDM4A
SCHEMBL6844201 0.83 KDM4E (0.48) KDM4EPOLBMAOAMAOBLDHA
SCHEMBL6464894 0.81 PLK1 (0.66) KDM4EPOLBMAOAMAOBPLK1
SCHEMBL164091 0.81 PLK1 (0.66) KDM4ELDHAPLK1MEN1KMT2A
SCHEMBL165580 0.77 KMT2A (0.49) KDM4EPOLBLDHAPLK1MEN1
SCHEMBL162180 0.77 NCEH1 (0.50) KDM4EMAOAMAOBPLK1MEN1
SCHEMBL7309416 0.75 ALDH1A1 (0.50) KDM4EPOLBMAOBLDHAPLK1

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 KDM4E 2214/4885POLB 690/4885MAOA 1531/4885

“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.