SCHEMBL162648

SCHEMBL162648

CC(C)CNC(=O)c1ccc2cc3ccccc3cc2c1[O]

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAOB P27338 2/20 0.51
MEN1 O00255 1/20 0.51
TP53 P04637 1/20 0.48
GAA P10253 3/20 0.47
HSD17B10 Q99714 2/20 0.47
POLB P06746 1/20 0.45
MAOA P21397 1/20 0.43
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
POLR1A O95602 1/20 0.40
HPGD P15428 3/20 0.40
NPSR1 Q6W5P4 2/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL163633 0.87 KMT2A (0.54) KMT2ASMN1; SMN2MAOBMEN1TP53
SCHEMBL163431 0.85 KMT2A (0.46) KMT2AGAAKDM4EALDH1A1LMNA
SCHEMBL161942 0.84 KMT2A (0.51) KMT2ASMN1; SMN2MAOBMEN1TP53
SCHEMBL161852 0.82 ALDH1A1 (0.50) MAOBGAAPOLBTSHRHTT
SCHEMBL161664 0.82 MAOA (0.48) MAOBGAAMAOAHTTKDM4E
SCHEMBL162824 0.80 KMT2A (0.54) KMT2ASMN1; SMN2MEN1TP53GAA
SCHEMBL162557 0.80 TSHR (0.57) SMN1; SMN2TSHRHTTHPGDRAB9A
SCHEMBL162966 0.80 PLK1 (0.51) GAAKDM4EALDH1A1HPGDRAB9A
SCHEMBL9508883 0.77 MEN1 (0.56) KMT2ASMN1; SMN2MAOBMEN1GAA
SCHEMBL163283 0.76 MAOA (0.48) KMT2ASMN1; SMN2MAOBMEN1GAA

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 KMT2A 2544/4885SMN1; SMN2 1/4885MAOB 1218/4885

“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.