SCHEMBL162958

SCHEMBL162958

CCCCNC(=O)c1cc([O])c2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.57
TSHR P16473 1/20 0.53
HTT P42858 1/20 0.53
NAAA Q02083 1/20 0.52
HDAC3 O15379 5/20 0.52
HDAC1 Q13547 5/20 0.52
HDAC2 Q92769 5/20 0.52
DRD2 P14416 1/20 0.51
DRD3 P35462 1/20 0.51
RAB9A P51151 1/20 0.51
NCEH1 Q6PIU2 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL161737 0.92 ALDH1A1 (0.56) SMN1; SMN2NAAAHDAC3HDAC1HDAC2
SCHEMBL162978 0.89 SMN1; SMN2 (0.55) SMN1; SMN2TSHRHTTNAAAHDAC3
SCHEMBL163094 0.87 SMN1; SMN2 (0.52) SMN1; SMN2TSHRHTTNAAAHDAC3
SCHEMBL162959 0.86 SMN1; SMN2 (0.57) SMN1; SMN2TSHRHTTNAAAHDAC3
SCHEMBL162794 0.85 BRD4 (0.45) HDAC3HDAC1HDAC2KDM4EALDH1A1
SCHEMBL10435868 0.81 NAAA (0.61) SMN1; SMN2NAAAHDAC3HDAC1HDAC2
SCHEMBL160436 0.81 HDAC3 (0.51) SMN1; SMN2NAAAHDAC3HDAC1HDAC2
SCHEMBL6358652 0.80 HDAC3 (0.74) SMN1; SMN2TSHRHTTNAAAHDAC3
SCHEMBL5113391 0.80 TSHR (0.58) SMN1; SMN2TSHRHTTNAAAHDAC3
SCHEMBL160378 0.79 KMT2A (0.56) SMN1; SMN2HTTRAB9AKDM4EALDH1A1

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 1/4885TSHR 4862/4885HTT 72/4885

“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.