SCHEMBL6598338

SCHEMBL6598338

O=C(CCCl)c1csc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.52
SOD1 P00441 1/20 0.47
HTR1A P08908 1/20 0.43
KMT2A Q03164 4/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HTT P42858 2/20 0.36
TP53 P04637 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
HPGD P15428 2/20 0.36
MIF P14174 1/20 0.36
CYP2D6 P10635 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
SCHEMBL2844302 0.80 ALDH1A1 (0.51) HTR7KMT2ATDP1ALDH1A1HTT
SCHEMBL6790964 0.79 KMT2A (0.53) HTR7KMT2ARAB9ATDP1ALDH1A1
SCHEMBL6596793 0.78 LMNA (0.41) HTR7HTR1AKMT2ARAB9AALDH1A1
Hydrochloric Acid SCHEMBL7982250 0.77 HTR7 (0.63) HTR7SOD1HTR1AKMT2ATDP1
SCHEMBL2845980 0.76 NPC1 (0.46) HTR7KMT2ANPC1RAB9ATDP1
SCHEMBL9049774 0.75 MAPT (0.57) KMT2ANPC1RAB9AALDH1A1HTT
SCHEMBL1577696 0.75 MTNR1A (0.49) HTR1AKMT2ANPC1RAB9ATDP1
SCHEMBL4263947 0.75 TSHR (0.42) KMT2AALDH1A1HTTMEN1MIF
SCHEMBL1578054 0.74 ALDH1A1 (0.59) HTR7SOD1HTR1AALDH1A1HTT
SCHEMBL10984577 0.73 ALDH1A1 (0.47) HTR7KMT2ARAB9AALDH1A1KDM4E

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 7 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
EP-1008594-B1 COMPOUNDS DERIVED FROM THOPHENE AND BENZOTHIOPHENE, AND RELATED UTILISATION AND COMPOSITION VITA LAB (ES) 2004-03-17 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
US-6262056-B1 TREATING ANXIETY OR DEPRESSION VITA-INVEST, SA (ES) 2001-07-17 US disclosed
EP-1008594-A1 COMPOUNDS DERIVED FROM THOPHENE AND BENZOTHIOPHENE, AND RELATED UTILISATION AND COMPOSITION VITA-INVEST, S.A. (ES) 2000-06-14 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-20040034219-A1 Benzothiophene derivative compounds process of preparation and use thereof TPH1, HTR1A, HTR5A HTR7 15/4885SOD1 4752/4885HTR1A 2/4885

“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.