SCHEMBL16737121

SCHEMBL16737121

O=C(O)c1sc([N+](=O)[O-])cc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 6/20 0.36
RAB9A P51151 3/20 0.35
ESR2 Q92731 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 2/20 0.35
NPC1 O15118 1/20 0.35
CASP6 P55212 1/20 0.34
GSK3B P49841 1/20 0.34
HTT P42858 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GALR2 O43603 1/20 0.33
HPGD P15428 1/20 0.33
MPI P34949 1/20 0.33
CCR6 P51684 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 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
SCHEMBL4311290 0.79 TSHR (0.43) GPR35RAB9AMEN1KMT2APOLB
SCHEMBL27735366 0.79 CA1 (0.40) GPR35RAB9AESR2CASP6HTT
SCHEMBL11185663 0.75 LMNA (0.40) RAB9AESR2MEN1KMT2APOLB
SCHEMBL16737143 0.73 AKR1C3 (0.44) RAB9AMEN1KMT2APOLBNPC1
SCHEMBL28903900 0.72 ALDH1A1 (0.49) RAB9AMEN1KMT2APOLBNPC1
SCHEMBL1845547 0.72 ALDH1A1 (0.33) RAB9AESR2ALDH1A1MAPTMITF
SCHEMBL15878596 0.71 GSK3B (0.61) GPR35POLBGSK3BNPSR1
SCHEMBL11813443 0.71 ALDH1A1 (0.42) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL4159524 0.70 CASP6 (0.42) GPR35ESR2CASP6GSK3BTDP1
SCHEMBL10639290 0.69 LMNA (0.40) GPR35RAB9AMEN1KMT2ANPC1

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 GPR35 1062/4885RAB9A 1387/4885ESR2 3444/4885

“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.