SCHEMBL16670865

SCHEMBL16670865

NC(=O)OCc1ccc(Cl)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.47
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GSK3B P49841 1/20 0.39
MMP8 P22894 2/20 0.39
MMP12 P39900 2/20 0.39
MMP13 P45452 2/20 0.39
DAO P14920 1/20 0.38
FFAR1 O14842 1/20 0.37
GABBR2 O75899 1/20 0.36
GABBR1 Q9UBS5 1/20 0.36
HPGD P15428 3/20 0.36
POLB P06746 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36

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
SCHEMBL20582493 0.78 L3MBTL1 (0.40) ALDH1A1KMT2ASMN1; SMN2GSK3BDAO
SCHEMBL29210322 0.75 NQO1 (0.33) SMN1; SMN2NQO1CYP1A2
SCHEMBL28649609 0.75 ICAM1 (0.39) ALDH1A1KMT2AHTTRAB9ASMN1; SMN2
SCHEMBL4086194 0.75 F2 (0.52) F2ALDH1A1KMT2AHTTRAB9A
SCHEMBL1715239 0.74
SCHEMBL7747781 0.74 ALDH1A1 (0.43) F2ALDH1A1KMT2AHTTRAB9A
SCHEMBL7931020 0.73 ALDH1A1 (0.39) F2ALDH1A1KMT2AHTTRAB9A
SCHEMBL28663727 0.73 LOX (0.47) ALDH1A1KMT2AMEN1
SCHEMBL18641383 0.73 KDM4E (0.56) ALDH1A1KMT2ARAB9ASMN1; SMN2POLB
SCHEMBL29032403 0.72 KDM4E (0.50) ALDH1A1KMT2ARAB9ASMN1; SMN2HPGD

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-10301348-B2 Compounds for use in prevention and treatment of neurodegenerative diseases and pain ACADEMIA SINICA (TW) 2019-05-28 US disclosed
EP-3060566-B1 COMPOUNDS FOR USE IN PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES AND PAIN ACADEMIA SINICA (TW) 2018-09-05 EP disclosed
US-20160264613-A1 COMPOUNDS FOR USE IN PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES AND PAIN ACADEMIA SINICA (TW) 2016-09-15 US disclosed
EP-3060566-A1 COMPOUNDS FOR USE IN PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES AND PAIN Academia Sinica (TW) 2016-08-31 EP disclosed
WO-2015061426-A1 COMPOUNDS FOR USE IN PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES AND PAIN ACADEMIA SINICA (TW) 2015-04-30 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 (2 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-20160264613-A1 COMPOUNDS FOR USE IN PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES AND PAIN ADORA2A, ADORA3, ADORA2B F2 4682/4885ALDH1A1 744/4885KMT2A 338/4885
US-10301348-B2 Compounds for use in prevention and treatment of neurodegenerative diseases and pain ADORA2A, ADORA3, ADORA2B F2 4682/4885ALDH1A1 744/4885KMT2A 338/4885

“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.