SCHEMBL5109093

SCHEMBL5109093

CCOc1ccc(I)c(F)c1C#N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 1/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
MAPT P10636 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
ALOX15 P16050 3/20 0.35
HSD17B10 Q99714 3/20 0.35
BRCA1 P38398 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
USP2 O75604 1/20 0.35
PRNP P04156 1/20 0.35
PDE4A P27815 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
TRPV4 Q9HBA0 1/20 0.34
KDM4E B2RXH2 4/20 0.33
AR P10275 2/20 0.33
LMNA P02545 2/20 0.33

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
SCHEMBL5580492 0.80 KDM4E (0.42) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL2821417 0.80 L3MBTL1 (0.40) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL29742117 0.80 L3MBTL1 (0.40) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL9929711 0.80 MEN1 (0.42) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL5110161 0.79 KDM4E (0.38) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL4403343 0.76 PDE4A (0.39) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL5104144 0.75 TSHR (0.42) KMT2AALDH1A1HPGDALOX15HSD17B10
SCHEMBL14277303 0.74 MAPK1 (0.41) MEN1KMT2AHSD17B10SMN1; SMN2USP2
SCHEMBL4406805 0.73 TRPV4 (0.37) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL5398415 0.73 KDM4E (0.40) MEN1KMT2AMAPTALDH1A1HPGD

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-7329764-B2 Substitute benzothiophene compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-12 US disclosed
US-7329764-B2 Substitute benzothiophene compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-12 US disclosed
US-7329764-B2 Substitute benzothiophene compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-12 US disclosed
EP-1651629-A1 SUBSTITUTED BENZOTHIOPHENE COMPOUNDS AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-05-03 EP disclosed
US-20050038104-A1 Substitute benzothiophene compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-17 US disclosed
WO-2005012283-A1 SUBSTITUTED BENZOTHIOPHENE COMPOUNDS AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-10 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-20050038104-A1 Substitute benzothiophene compounds TST, SULT1E1, LTC4S EPAS1 2054/4885MEN1 4423/4885KMT2A 3520/4885

“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.