SCHEMBL5046104

SCHEMBL5046104

CC(C)(C)CCSc1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
MAPT P10636 3/20 0.49
KMT2A Q03164 3/20 0.49
EHMT2 Q96KQ7 1/20 0.47
EHMT1 Q9H9B1 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 2/20 0.44
HPGD P15428 3/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TP53 P04637 1/20 0.42

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
SCHEMBL21320645 0.82 EHMT2 (0.53) ALDH1A1MAPTKMT2AEHMT2EHMT1
SCHEMBL12933374 0.81 ALDH1A1 (0.55) ALDH1A1MAPTKMT2AEHMT2EHMT1
SCHEMBL5020551 0.79 ALDH1A1 (0.58) ALDH1A1MAPTKMT2AEHMT2EHMT1
SCHEMBL1130288 0.77 ALDH1A1 (0.49) ALDH1A1MAPTKMT2AEHMT2EHMT1
SCHEMBL1129847 0.77 ALDH1A1 (0.49) ALDH1A1MAPTKMT2AEHMT2EHMT1
SCHEMBL31403216 0.77 ALDH1A1 (0.56) ALDH1A1MAPTKMT2AEHMT2EHMT1
SCHEMBL7208033 0.76 ALDH1A1 (0.59) ALDH1A1MAPTKMT2AEHMT2EHMT1
SCHEMBL1130079 0.76 ALDH1A1 (0.47) ALDH1A1MAPTKMT2AEHMT2EHMT1
SCHEMBL1129373 0.76 ALDH1A1 (0.47) ALDH1A1MAPTKMT2AEHMT2EHMT1
SCHEMBL422519 0.76 ALDH1A1 (0.54) ALDH1A1MAPTKMT2AEHMT2EHMT1

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-8173688-B2 Thiazole compounds, and compositions and methods using same NEXMED HOLDINGS, INC. (US) 2012-05-08 US disclosed
US-20090311343-A1 Thiazole Compounds, and Compositions and Methods Using Same NEXMED HOLDINGS, INC. 2009-12-17 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-20090311343-A1 Thiazole Compounds, and Compositions and Methods Using Same RCC2, PKD1, REN ALDH1A1 783/4885MAPT 1803/4885KMT2A 1791/4885

“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.