SCHEMBL19385877

SCHEMBL19385877

Cc1ccc(C[S@+]([O-])c2nc3ccccc3n2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
SMN1; SMN2 Q16637 7/20 0.46
TP53 P04637 4/20 0.46
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 4/20 0.44
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
GAA P10253 2/20 0.41
HSD11B1 P28845 1/20 0.41
GRM2 Q14416 1/20 0.41
CYP11B1 P15538 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
SCHEMBL19385875 1.00 NPC1 (0.53) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL19385852 0.90 SMN1; SMN2 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL19385853 0.90 SMN1; SMN2 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL19385907 0.88 SMN1; SMN2 (0.54) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL19385936 0.88 RAB9A (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL19385908 0.88 SMN1; SMN2 (0.54) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL19385938 0.88 RAB9A (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL19385857 0.84 VDR (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL19385856 0.84 VDR (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL19385828 0.83 ALDH1A1 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A

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-10710061-B2 Ion pair catalysis of tungstate and molybdate NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2020-07-14 US disclosed
US-10710061-B2 Ion pair catalysis of tungstate and molybdate NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2020-07-14 US disclosed
US-20190105646-A1 ION PAIR CATALYSIS OF TUNGSTATE AND MOLYBDATE NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2019-04-11 US disclosed
US-20190105646-A1 ION PAIR CATALYSIS OF TUNGSTATE AND MOLYBDATE NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2019-04-11 US disclosed
WO-2017164813-A1 ION PAIR CATALYSIS OF TUNGSTATE AND MOLYBDATE NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2017-09-28 WO disclosed
WO-2017164813-A1 ION PAIR CATALYSIS OF TUNGSTATE AND MOLYBDATE NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2017-09-28 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 (2 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-10710061-B2 Ion pair catalysis of tungstate and molybdate PRDX3, PRDX4, PRDX2 NPC1 4616/4885RAB9A 4286/4885SMN1; SMN2 4353/4885
US-20190105646-A1 ION PAIR CATALYSIS OF TUNGSTATE AND MOLYBDATE PRDX3, PRDX4, PRDX6 NPC1 4746/4885RAB9A 4362/4885SMN1; SMN2 4370/4885

“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.