SCHEMBL16756458

SCHEMBL16756458

CS(=O)(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.71
RAB9A P51151 4/20 0.71
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
SCD O00767 6/20 0.70
NPBWR1 P48145 1/20 0.69
PRKDC P78527 1/20 0.64
ATM Q13315 1/20 0.64
ATR Q13535 1/20 0.64
GAA P10253 1/20 0.62
FADS1 O60427 1/20 0.61
MMP2 P08253 1/20 0.60
MMP9 P14780 1/20 0.60
MMP8 P22894 1/20 0.60
KDM4E B2RXH2 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
ALDH1A1 P00352 1/20 0.59
TP53 P04637 1/20 0.59
POLB P06746 1/20 0.59
MAPT P10636 1/20 0.59

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
SCHEMBL30424949 1.00 NPC1 (0.71) NPC1RAB9AMEN1KMT2ASCD
SCHEMBL12568427 0.91 SCD (0.71) NPC1RAB9AMEN1KMT2ASCD
SCHEMBL6517599 0.84 HDAC6 (0.69) NPC1RAB9AMEN1KMT2ASCD
SCHEMBL29386825 0.83 NPC1 (0.88) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL2178266 0.83 NPC1 (0.88) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL913121 0.82 SCD (1.00) SCDNPBWR1FADS1
SCHEMBL14254530 0.82 NPBWR1 (1.00) SCDNPBWR1FADS1
SCHEMBL12568424 0.82 NPBWR1 (0.79) SCDNPBWR1FADS1
SCHEMBL24295036 0.81 NPC1 (0.84) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL7270916 0.81 SCD (0.64) NPC1RAB9AMEN1KMT2ASCD

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-9550737-B2 TNF -α modulating benzimidazoles UCB BIOPHARMA SPRL (BE) 2017-01-24 US disclosed
US-20150152065-A1 TNF -Alpha Modulating Benzimidazoles UCB BIOPHARMA SPRL (BE) 2015-06-04 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-20150152065-A1 TNF -Alpha Modulating Benzimidazoles TNF, TNFRSF1A, NFKBIA NPC1 3216/4885RAB9A 1951/4885MEN1 3836/4885

“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.