SCHEMBL166275

SCHEMBL166275

CC(C)NC(=O)c1conc1[O]

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
TSHR P16473 2/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 2/20 0.37
PKM P14618 1/20 0.37
MAPT P10636 1/20 0.36
HPGD P15428 2/20 0.36
TP53 P04637 1/20 0.36
GABRA5 P31644 1/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
MLLT1 Q03111 1/20 0.35
USP2 O75604 1/20 0.35
HDAC4 P56524 1/20 0.35

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
SCHEMBL163314 0.83 KMT2A (0.50) TSHRMAOAMAOBNPC1RAB9A
SCHEMBL165462 0.79 GAA (0.37) TSHRSMN1; SMN2HTTHPGDTP53
SCHEMBL163561 0.78 RAB9A (0.44) TSHRMAOBNPC1RAB9AALDH1A1
SCHEMBL163200 0.75 L3MBTL1 (0.39) TSHRHPGDGABRA5KDM4EGAA
SCHEMBL163418 0.75 CA12 (0.41) TSHRNPC1RAB9AALDH1A1HTT
SCHEMBL25446984 0.71 SMN1; SMN2 (0.40) TSHRNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL162506 0.71 ALDH1A1 (0.53) TSHRNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL23135539 0.70 JAK2 (0.39) MAOAMAOBGABRA5
SCHEMBL161729 0.70
SCHEMBL163544 0.69 ALDH1A1 (0.41) ALOX5MAOAMAOBALDH1A1SMN1; 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 ALOX5 515/4885TSHR 4862/4885MAOA 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.