SCHEMBL22147197

SCHEMBL22147197

CC(C)(C)c1ccc(-c2nc(CS(C)(=O)=O)co2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.43
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
KDM4E B2RXH2 1/20 0.41
NOTUM Q6P988 1/20 0.39
GFER P55789 1/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
NR1H4 Q96RI1 1/20 0.36
S1PR1 P21453 1/20 0.36

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
SCHEMBL22147344 0.83 ALDH1A1 (0.44) NPC1RAB9ALMNATP53MAPT
SCHEMBL5782311 0.79 NPC1 (0.41) IKBKBNPC1RAB9AKDM4ENOTUM
SCHEMBL4908635 0.77 RAB9A (0.43) IKBKBNPC1RAB9AKDM4ENOTUM
SCHEMBL4906065 0.77 IKBKB (0.41) IKBKBNPC1RAB9AKDM4ENOTUM
SCHEMBL20464263 0.73 LMNA (0.30) LMNA
SCHEMBL4902841 0.72 MAPT (0.47) KDM4ELMNAMAPTHPGDSMN1; SMN2
SCHEMBL28540545 0.71 NPC1 (0.44) IKBKBNPC1RAB9AKDM4ENOTUM
SCHEMBL5901217 0.70 PPARG (0.45) RAB9ANOTUMLMNAS1PR1
SCHEMBL2868912 0.69 ALDH1A1 (0.50) IKBKBNOTUMNR1H4
SCHEMBL17047950 0.69 ALDH1A1 (0.42) NPC1RAB9AKDM4ELMNATP53

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200197524-A1 QUATERNIZED NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITOR CONJUGATES SEATTLE GENETICS, INC. (US) 2020-06-25 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-20200197524-A1 QUATERNIZED NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITOR CONJUGATES NAMPT, NNMT, NADK IKBKB 1050/4885NPC1 1346/4885RAB9A 736/4885

“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.