SCHEMBL3009065

SCHEMBL3009065

Cc1ccsc1C1CNCCN1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 6/20 0.35
HPGD P15428 5/20 0.35
HSD17B10 Q99714 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 5/20 0.33
GAA P10253 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HIF1A Q16665 1/20 0.32
GID4 Q8IVV7 1/20 0.31
CHRM2 P08172 3/20 0.30

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
SCHEMBL24233856 0.77 CHRM2 (0.41) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL2770880 0.70 DRD2 (0.41)
SCHEMBL9786152 0.69 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL5802520 0.69 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL5584941 0.69 HTR2C (0.47) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL9591123 0.69 GPR3 (0.35) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C9
SCHEMBL20139212 0.68 HTR2C (0.50)
SCHEMBL20139214 0.68 HTR2C (0.50)
SCHEMBL7332257 0.68 HTR2C (0.50)
SCHEMBL30454496 0.68 HTR2C (0.50)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722681-B2 N-sulfonyl thiazolylpiperazine derivatives and related N-sulfonyl heterocyclic derivatives for the treatment of neuro degenerative diseases NV REMYND (BE) 2014-05-13 US claimed
US-8722681-B2 N-sulfonyl thiazolylpiperazine derivatives and related N-sulfonyl heterocyclic derivatives for the treatment of neuro degenerative diseases NV REMYND (BE) 2014-05-13 US disclosed
US-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV REMYND (BE) 2010-08-05 US disclosed
US-5210193-A Bactericide AMERICAN CYANAMID COMPANY (US) 1993-05-11 US disclosed
US-4940710-A 7-(substituted)piperazinyl-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids AMERICAN CYANAMID COMPANY (US) 1990-07-10 US disclosed
EP-0230053-A2 7-(Substituted)piperazinyl-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids AMERICAN CYANAMID COMPANY (US) 1987-07-29 EP 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-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES SMN1; SMN2, HTT, SNCA ALDH1A1 3510/4885KDM4E 4398/4885HPGD 2894/4885

“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.