SCHEMBL6985231

SCHEMBL6985231

CC(=O)Nc1ccc2c(-c3cccnc3)csc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
MAPT P10636 4/20 0.48
ABL1 P00519 1/20 0.47
PDGFRB P09619 1/20 0.47
BCR P11274 1/20 0.47
PDGFRA P16234 1/20 0.47
PIK3CA P42336 1/20 0.46
PIK3CG P48736 1/20 0.46
ATR Q13535 2/20 0.45
ADRB2 P07550 1/20 0.45
CKS1B P61024 1/20 0.44

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
SCHEMBL6983318 0.91 NPC1 (0.51) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL6984037 0.84 PDE4B (0.43) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL6978131 0.80 MEN1 (0.51) NPC1RAB9AALDH1A1CYP11B1CYP11B2
SCHEMBL6981771 0.78 NPC1 (0.47) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL6986460 0.78 MKNK1 (0.46) NPC1RAB9ASMN1; SMN2CYP11B1CYP11B2
SCHEMBL6981144 0.78 CYP17A1 (0.50) NPC1RAB9ASMN1; SMN2CYP11B1MAPT
SCHEMBL6985848 0.77 DYRK1A (0.50) ALDH1A1CYP11B1CYP11B2PIK3CAPIK3CG
Hydrochloric Acid SCHEMBL6986821 0.77 CYP17A1 (0.49) NPC1RAB9ASMN1; SMN2CYP11B1MAPT
SCHEMBL6984271 0.76 NPC1 (0.52) NPC1RAB9AALDH1A1KDM4ETDP1
SCHEMBL6986226 0.75 FLT3 (0.47) NPC1RAB9AKMT2AMEN1

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 4646/4885ALDH1A1 162/4885

“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.