SCHEMBL4267100

SCHEMBL4267100

CC(C)(C)C(=O)c1sc(N(Cl)C(=O)c2ccccc2O)nc1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.36
RAB9A P51151 7/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
HPGD P15428 4/20 0.34
TP53 P04637 2/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
RXFP1 Q9HBX9 2/20 0.33
TSHR P16473 3/20 0.33
TDP1 Q9NUW8 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.31
ALDH1A1 P00352 3/20 0.31
GAA P10253 2/20 0.31
KDM4E B2RXH2 2/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL3475591 0.75 RAB9A (0.56) NPC1RAB9AMEN1KMT2AHPGD
SCHEMBL12083366 0.66 KDM4E (0.54) NPC1RAB9AMEN1KMT2AHPGD
SCHEMBL330373 0.64 KCNMA1 (0.50) MEN1KMT2A
SCHEMBL10242346 0.64 ALDH1A1 (0.41) NPC1RAB9AHPGDTP53LMNA
SCHEMBL29134994 0.62 KDM4E (0.54) NPC1RAB9AMEN1KMT2AHPGD
SCHEMBL330389 0.62 ALDH1A1 (0.59) NPC1RAB9AKMT2AHPGDTP53
SCHEMBL20812215 0.60 TSHR (0.47) NPC1RAB9AMEN1KMT2AHPGD
SCHEMBL27982454 0.60 KDM4E (0.54) NPC1RAB9AMEN1KMT2AHPGD
SCHEMBL3349740 0.59 HPGD (0.50) NPC1RAB9AMEN1KMT2AHPGD
Bromide SCHEMBL6847024 0.59 TSHR (0.46) NPC1RAB9AMEN1KMT2AHPGD

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-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-07-30 US disclosed
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-10-09 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 (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-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A NPC1 978/4885RAB9A 1124/4885MEN1 4504/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A NPC1 978/4885RAB9A 1124/4885MEN1 4504/4885

“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.