SCHEMBL10016622

SCHEMBL10016622

CC(C)(C)c1ccc(NC(=O)CSc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.64
KMT2A Q03164 3/20 0.63
HTT P42858 2/20 0.63
HSD17B10 Q99714 2/20 0.63
POLB P06746 2/20 0.63
TSHR P16473 1/20 0.63
PPARG P37231 1/20 0.63
NCOA2 Q15596 1/20 0.63
NCOA1 Q15788 1/20 0.63
NCOA3 Q9Y6Q9 1/20 0.63
ALDH1A1 P00352 4/20 0.62
LMNA P02545 2/20 0.62
MEN1 O00255 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
MAPT P10636 2/20 0.56
PABPC1 P11940 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TP53 P04637 1/20 0.55

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
SCHEMBL6796256 0.84 ALDH1A1 (0.78) RAB9AKMT2AHTTHSD17B10POLB
SCHEMBL14208824 0.83 NPC1 (0.69) RAB9AKMT2AHTTHSD17B10POLB
Ammonia Solution, Strong SCHEMBL28437729 0.82 ALDH1A1 (0.76) RAB9AKMT2AHTTHSD17B10POLB
SCHEMBL13167581 0.77 EPHX2 (0.69) RAB9AKMT2APOLBALDH1A1MEN1
SCHEMBL4735011 0.77 POLB (0.66) RAB9AKMT2AHTTHSD17B10POLB
SCHEMBL13650830 0.76 NR1H4 (0.58) RAB9AKMT2AHTTPOLBMEN1
SCHEMBL9429422 0.76 MAPT (0.59) RAB9AKMT2AHTTPOLBTSHR
SCHEMBL19240371 0.76 KIF11 (0.59) RAB9AKMT2AHTTPOLBLMNA
SCHEMBL2339823 0.75 KMT2A (0.74) RAB9AKMT2AHTTHSD17B10POLB
SCHEMBL11867758 0.75 SMN1; SMN2 (0.71) RAB9AKMT2AHTTPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163788-B2 Low-molecular inhibitors of cytohesin-family guanine nucleotide exchange factors RHEINISCHE FRIEDRICH-WILHELMS UNIVERSITAT BONN (DE) 2012-04-24 US disclosed
US-20100048594-A1 USE OF CYTOHESIN INHIBITORS FOR CHEMICALLY INDUCING LONGEVITY RHEINISCHE FRIEDRICH-WILHELMS UNIVERSITAT (DE) 2010-02-25 US disclosed
US-20090105286-A1 Low-molecular inhibitors of cytohesin-family guanine nucleotide exchange factors RHEINISCHE FRIEDRICH-WILHELMS UNIVERSITAT (DE) 2009-04-23 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-20100048594-A1 USE OF CYTOHESIN INHIBITORS FOR CHEMICALLY INDUCING LONGEVITY IGFBP1, IGFBP2, IGFBP5 RAB9A 3595/4885KMT2A 4710/4885HTT 34/4885
US-20090105286-A1 Low-molecular inhibitors of cytohesin-family guanine nucleotide exchange factors CYTH2, CYTH3, ENTPD5 RAB9A 456/4885KMT2A 4540/4885HTT 3474/4885

“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.