SCHEMBL4984479

SCHEMBL4984479

CC(C)(C)c1ccc(C(=S)NN)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.48
RAB9A P51151 2/20 0.47
MAPT P10636 3/20 0.45
ALOX12 P18054 1/20 0.45
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
TYR P14679 1/20 0.43
SRD5A2 P31213 1/20 0.42
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41

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
SCHEMBL9749414 0.79 CES2 (0.48) RAB9AMAPTLMNANPC1SRD5A2
SCHEMBL418246 0.77 HDAC1 (0.67) HDAC1RAB9AMAPTLMNANPC1
SCHEMBL3370090 0.76 HTT (0.50) HDAC1RAB9AMAPTALOX12LMNA
SCHEMBL4192188 0.76 NPC1 (0.48) HDAC1RAB9AMAPTLMNANPC1
Hydrochloric Acid SCHEMBL28941790 0.75 HDAC1 (0.64) HDAC1RAB9AMAPTLMNANPC1
SCHEMBL10871615 0.74 HDAC1 (0.52) HDAC1RAB9AMAPTALOX12LMNA
SCHEMBL28470795 0.73 NPC1 (0.60) RAB9AMAPTALOX12LMNANPC1
SCHEMBL8648310 0.73 SRD5A2 (0.54) HDAC1RAB9AMAPTALOX12LMNA
SCHEMBL11699186 0.73 MAPT (0.50) HDAC1RAB9AMAPTALOX12LMNA
SCHEMBL462576 0.72 IDO1 (0.58) RAB9AMAPTALOX12LMNANPC1

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-20080125469-A1 Thiadiazole compounds and methods of use thereof WYETH (US) 2008-05-29 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-20080125469-A1 Thiadiazole compounds and methods of use thereof ADAMTS5, ADAMTS1, TIMP3 HDAC1 1226/4885RAB9A 2706/4885MAPT 1320/4885

“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.