SCHEMBL163094

SCHEMBL163094

CCCCNC(=O)c1cc([O])c2ccc3ccccc3c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.52
NCEH1 Q6PIU2 1/20 0.49
HDAC3 O15379 3/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC2 Q92769 3/20 0.48
NAAA Q02083 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
RAB9A P51151 1/20 0.47
HPGD P15428 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL163714 0.92 ALDH1A1 (0.48) SMN1; SMN2HDAC3HDAC1HDAC2NAAA
SCHEMBL161821 0.87 ALDH1A1 (0.44) HDAC3HDAC1HDAC2RAB9AHPGD
SCHEMBL162958 0.87 SMN1; SMN2 (0.57) SMN1; SMN2NCEH1HDAC3HDAC1HDAC2
SCHEMBL162978 0.82 SMN1; SMN2 (0.55) SMN1; SMN2NCEH1HDAC3HDAC1HDAC2
SCHEMBL163276 0.81 ALDH1A1 (0.51) RAB9AHPGDKDM4EALDH1A1MAPT
SCHEMBL163280 0.81 KMT2A (0.51) SMN1; SMN2RAB9AHPGDKDM4EMEN1
SCHEMBL161737 0.79 ALDH1A1 (0.56) SMN1; SMN2HDAC3HDAC1HDAC2NAAA
SCHEMBL162900 0.78 CNR2 (0.49) SMN1; SMN2TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL15204763 0.78 ALDH1A1 (0.49) HTTRAB9AHPGDMEN1ALDH1A1
SCHEMBL159506 0.77 TSHR (0.57) SMN1; SMN2NCEH1NAAATSHRHTT

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 SMN1; SMN2 1/4885NCEH1 1765/4885HDAC3 1776/4885

“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.