SCHEMBL16737101

SCHEMBL16737101

COc1ccc(Nc2ccsc2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.43
ABCB1 P08183 1/20 0.43
ABCC1 P33527 1/20 0.43
GALR2 O43603 4/20 0.40
GALR1 P47211 2/20 0.40
TUBB1 Q9H4B7 2/20 0.39
PTGES O14684 1/20 0.39
FGFR2 P21802 1/20 0.39
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
PTGS2 P35354 2/20 0.38
PIK3CA P42336 1/20 0.38
PTGS1 P23219 1/20 0.37

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
SCHEMBL23134552 0.77 GALR2 (0.59) ABCG2ABCB1ABCC1GALR2GALR1
SCHEMBL30523135 0.77 GAA (0.61) ABCG2ABCB1ABCC1GALR2GALR1
SCHEMBL6227614 0.77 MRGPRX1 (0.49) TUBB1MEN1NPC1ALDH1A1KMT2A
SCHEMBL16411802 0.76 ABCG2 (0.46) ABCG2ABCB1ABCC1GALR2GALR1
SCHEMBL27668459 0.76 RAPGEF4 (0.49) RAB9AMEN1NPC1KMT2AMAPK1
SCHEMBL27668399 0.72 TDP2 (0.62) MEN1ALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL4444229 0.72 MEN1 (0.51) TUBB1RAB9AMEN1NPC1ALDH1A1
SCHEMBL4543794 0.72 ALDH1A1 (0.45) RAB9AMEN1NPC1ALDH1A1KMT2A
SCHEMBL3115364 0.72 TUBB1 (0.47) ABCG2ABCB1ABCC1GALR2GALR1
SCHEMBL14108384 0.71 RAB9A (0.42) RAB9AMEN1NPC1ALDH1A1KMT2A

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-9834537-B2 Compounds as chloride channel blocking agent KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2017-12-05 US disclosed
US-20150148550-A1 NOVEL COMPOUNDS AS CHLORIDE CHANNEL BLOCKING AGENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-05-28 US 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-20150148550-A1 NOVEL COMPOUNDS AS CHLORIDE CHANNEL BLOCKING AGENT CACNB2, CACNB1, CACNB4 ABCG2 608/4885ABCB1 1204/4885ABCC1 937/4885

“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.