SCHEMBL6596508

SCHEMBL6596508

CC(=O)Oc1ccc2scc(C(=O)CCCl)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.42
MTNR1B P49286 5/20 0.42
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1A P08908 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL1577696 0.87 MTNR1A (0.49) MTNR1AMTNR1BNPC1RAB9AHTT
SCHEMBL6236325 0.82 MTNR1A (0.43) MTNR1AMTNR1BNPC1RAB9AHTT
SCHEMBL6130728 0.81 KDM4E (0.54) MTNR1AMTNR1BNPC1RAB9AHTT
SCHEMBL6596793 0.80 LMNA (0.41) RAB9ALMNAALDH1A1CYP1A2CYP2D6
SCHEMBL6384689 0.77 HTR7 (0.50) MTNR1AMTNR1BLMNAALDH1A1CYP1A2
SCHEMBL6230318 0.75 MTNR1A (0.46) MTNR1AMTNR1BNPC1RAB9AHTT
SCHEMBL1578054 0.73 ALDH1A1 (0.59) HTTLMNAALDH1A1CYP1A2CYP2D6
SCHEMBL6984243 0.71 MTNR1A (0.43) MTNR1AMTNR1BNPC1RAB9AHTT
SCHEMBL25030256 0.70 MTNR1A (0.64) MTNR1AMTNR1BHTR1DKEAP1NFE2L2
SCHEMBL25987515 0.70 HTR1D (0.58) MTNR1AMTNR1BHTR1DHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1337528-B1 BENZOTHIOPHENE DERIVATIVE COMPOUNDS, PROCESS OF PREPARATION AND USE THEREOF VITA LAB (ES) 2004-08-04 EP disclosed
US-20040034219-A1 Benzothiophene derivative compounds process of preparation and use thereof LABORATORIOS VITA, S.A. (ES) 2004-02-19 US disclosed
EP-1337528-A2 BENZOTHIOPHENE DERIVATIVE COMPOUNDS, PROCESS OF PREPARATION AND USE THEREOF LABORATORIOS VITA, S.A. (ES) 2003-08-27 EP disclosed
WO-2002044170-A2 BENZOTHIOPHENE DERIVATIVE COMPOUNDS, PROCESS OF PREPARATION AND USE THEREOF LABORATORIOS VITA, S.A. (ES) 2002-06-06 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-20040034219-A1 Benzothiophene derivative compounds process of preparation and use thereof TPH1, HTR1A, HTR5A MTNR1A 348/4885MTNR1B 464/4885NPC1 1289/4885

“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.