SCHEMBL162978

SCHEMBL162978

CCCCNC(=O)c1cc([O])c2cc3ccccc3cc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
HDAC3 O15379 7/20 0.53
HDAC1 Q13547 7/20 0.53
HDAC2 Q92769 7/20 0.53
NAAA Q02083 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
RAB9A P51151 1/20 0.49
HDAC4 P56524 4/20 0.47
HDAC7 Q8WUI4 4/20 0.47
HDAC10 Q969S8 4/20 0.47
HDAC11 Q96DB2 4/20 0.47
HDAC8 Q9BY41 4/20 0.47
HDAC6 Q9UBN7 4/20 0.47
HDAC9 Q9UKV0 4/20 0.47
HDAC5 Q9UQL6 4/20 0.47
HPGD P15428 1/20 0.45
OPRM1 P35372 1/20 0.44

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
SCHEMBL160436 0.92 HDAC3 (0.51) SMN1; SMN2HDAC3HDAC1HDAC2NAAA
SCHEMBL162958 0.89 SMN1; SMN2 (0.57) SMN1; SMN2HDAC3HDAC1HDAC2NAAA
SCHEMBL163498 0.86 HDAC3 (0.43) HDAC3HDAC1HDAC2RAB9AHDAC4
SCHEMBL163094 0.82 SMN1; SMN2 (0.52) SMN1; SMN2HDAC3HDAC1HDAC2NAAA
SCHEMBL161737 0.81 ALDH1A1 (0.56) SMN1; SMN2HDAC3HDAC1HDAC2NAAA
SCHEMBL6358652 0.80 HDAC3 (0.74) SMN1; SMN2HDAC3HDAC1HDAC2NAAA
SCHEMBL162512 0.80 KMT2A (0.54) SMN1; SMN2HTTRAB9AHPGDOPRM1
SCHEMBL163477 0.79 PLK1 (0.44) SMN1; SMN2HDAC3HDAC1HDAC2TSHR
SCHEMBL162959 0.78 SMN1; SMN2 (0.57) SMN1; SMN2HDAC3HDAC1HDAC2NAAA
SCHEMBL15204760 0.76 ALDH1A1 (0.51) SMN1; SMN2HTTRAB9AHPGDGAA

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 1/4885HDAC3 1776/4885HDAC1 2568/4885

“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.