SCHEMBL161246

SCHEMBL161246

CCC(C)NC(=O)c1ccnnc1[O]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 2/20 0.43
ADRA1A P35348 1/20 0.43
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
JAK2 O60674 1/20 0.38

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
SCHEMBL161919 0.84 ALOX5 (0.41) ALDH1A1ADRA1AHTTKDM4EMAPT
SCHEMBL15204566 0.79 MEN1 (0.60) MEN1KMT2AALDH1A1RAB9AADRA1A
SCHEMBL165748 0.78 L3MBTL1 (0.41) KMT2AADRA1AHTTL3MBTL1TSHR
SCHEMBL162468 0.77 KMT2A (0.45) MEN1KMT2AALDH1A1ADRA1AHTT
SCHEMBL161696 0.75 GAA (0.40) ADRA1AHTTSMN1; SMN2TSHRHPGD
SCHEMBL163082 0.75 POLB (0.49) KMT2AALDH1A1ADRA1AHTTKDM4E
SCHEMBL11823698 0.73 MEN1 (0.83) MEN1KMT2AALDH1A1RAB9AADRA1A
SCHEMBL163036 0.73 TSHR (0.57) ALDH1A1ADRA1AHTTSMN1; SMN2L3MBTL1
SCHEMBL161728 0.73 ADRA1A (0.41) ALDH1A1ADRA1AKDM4EMAPTL3MBTL1
SCHEMBL15204485 0.71 MEN1 (0.73) MEN1KMT2AALDH1A1RAB9AADRA1A

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 2544/4885ALDH1A1 1667/4885

“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.