SCHEMBL6981771

SCHEMBL6981771

CC(=O)Oc1ccc2c(-c3cccnc3)csc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
PKM P14618 1/20 0.47
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP11B1 P15538 3/20 0.42
CYP11B2 P19099 3/20 0.42
GPR35 Q9HC97 2/20 0.42
CYP3A4 P08684 4/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP1B1 Q16678 1/20 0.41
MAPT P10636 1/20 0.40
CYP19A1 P11511 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL6984794 0.86 MKNK1 (0.44) NPC1RAB9ASMN1; SMN2TP53KDM4E
Hydrochloric Acid SCHEMBL6985178 0.85 MKNK1 (0.43) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL6982134 0.85 CA9 (0.46) KDM4EALDH1A1KMT2ACYP3A4CYP1A2
SCHEMBL6981655 0.85 KDM4E (0.55) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL6982572 0.84 KDM4E (0.54) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL6985635 0.81 MAPT (0.56) NPC1RAB9ASMN1; SMN2TP53KDM4E
Hydrochloric Acid SCHEMBL6987032 0.81 MAPT (0.54) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL6979529 0.80 CYP2C9 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL6987016 0.80 CYP19A1 (0.50) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL6982148 0.79 CYP11B2 (0.52) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030130340-A1 Novel benzothiophene derivatives DAIICHI PHARMACEUTICAL CO. LTD. 2003-07-10 US disclosed
EP-1283209-A1 NOVEL BENZOTHIOPHENE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-02-12 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-20030130340-A1 Novel benzothiophene derivatives CYP17A1, CYP21A2, HSD17B1 NPC1 693/4885RAB9A 4646/4885SMN1; SMN2 4812/4885

“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.