SCHEMBL4947647

SCHEMBL4947647

O=C(Cc1cccs1)N1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.65
ALDH1A1 P00352 7/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
HPGD P15428 2/20 0.64
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
KDM4E B2RXH2 2/20 0.59
HSD17B10 Q99714 2/20 0.59
MAPT P10636 2/20 0.59
LMNA P02545 2/20 0.59
CASP1 P29466 1/20 0.59
GFER P55789 1/20 0.58
POLB P06746 2/20 0.56
PKM P14618 2/20 0.56
TSHR P16473 1/20 0.56
TDP1 Q9NUW8 1/20 0.53
GAA P10253 1/20 0.53

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
SCHEMBL8781421 1.00 HTT (0.65) HTTALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL6190463 0.85 HTT (0.63) HTTALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL15134835 0.85 HTT (0.72) HTTALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL10373273 0.84 HTT (0.62) HTTALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL6794958 0.82 MAPT (0.58) HTTALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL7232816 0.82 MAPT (0.58) HTTALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL7241560 0.81 ALDH1A1 (0.56) HTTALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL7232704 0.81 MAPT (0.54) HTTALDH1A1SMN1; SMN2HPGDRAB9A
Ammonia Solution, Strong SCHEMBL7239598 0.81 MAPT (0.57) HTTALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL7233063 0.81 MAPT (0.54) HTTALDH1A1SMN1; SMN2HPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113061121-B Method for catalyzing hydrodesulfurization of thioamide derivative 精华制药集团南通有限公司 2023-04-11 CN disclosed
CN-113061121-A Method for catalyzing hydrodesulfurization of thioamide derivative 精华制药集团南通有限公司 2021-07-02 CN disclosed
EP-2343069-A1 Heterocyclic aspartyl protease inhibitors Schering Corporation (US) 2011-07-13 EP disclosed
EP-1885725-B1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2008-09-24 EP disclosed
EP-1885725-A1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-02-13 EP disclosed
WO-2006108488-A1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-10-19 WO disclosed
US-20060235013-A1 Tricyclic azole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-10-19 US disclosed
EP-0252474-B1 HYDRAZINE DERIVATIVES AMERICAN CYANAMID COMPANY (US) 1993-04-21 EP disclosed
EP-0525832-A1 Substituted 1,2,3- thiadiazole-4-thiolates AMERICAN CYANAMID COMPANY (US) 1993-02-03 EP disclosed
US-4916237-A Substituted 1,2,3-thiadiazole-4-thiolates AMERICAN CYANAMID COMPANY (US) 1990-04-10 US disclosed
US-4803280-A Substituted 1,2,3-thia-diazole-4-thiolates AMERICAN CYANAMID COMPANY (US) 1989-02-07 US disclosed
EP-0252474-A2 Hydrazine derivatives AMERICAN CYANAMID COMPANY (US) 1988-01-13 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-20060235013-A1 Tricyclic azole derivatives CYP3A5, CYP3A43, CYP11B1 HTT 2838/4885ALDH1A1 204/4885SMN1; SMN2 3734/4885

“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.