SCHEMBL6133541

SCHEMBL6133541

O=C(NCc1ccccn1)c1nc(-c2ccccc2)c(-c2ccc(=O)[nH]n2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
HTT P42858 2/20 0.49
NAMPT P43490 1/20 0.48
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
POLB P06746 2/20 0.48
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
ADORA2A P29274 2/20 0.46
ADORA1 P30542 2/20 0.46
MAPK1 P28482 2/20 0.46
TSHR P16473 1/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
KMT2A Q03164 2/20 0.44
MAPK10 P53779 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 2/20 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
SCHEMBL6134289 0.82 KDM4E (0.44) RAB9ANPC1POLBALDH1A1KDM4E
SCHEMBL6133509 0.80 TSHR (0.48) LMNAHTTNAMPTRAB9ANPC1
SCHEMBL6133417 0.79 KDM4E (0.49) LMNAHTTNAMPTRAB9ANPC1
SCHEMBL6133155 0.78 CYP1A2 (0.50) LMNARAB9ANPC1ALDH1A1KDM4E
SCHEMBL6134093 0.78 CYP1A2 (0.49) LMNAHTTNAMPTRAB9ANPC1
SCHEMBL6134249 0.78 TSHR (0.46) LMNAHTTNAMPTRAB9ANPC1
SCHEMBL6133796 0.78 ADORA2A (0.50) HTTRAB9ANPC1ALDH1A1ADORA2A
SCHEMBL6133701 0.78 KDM4E (0.46) LMNAHTTNAMPTRAB9ANPC1
SCHEMBL6133820 0.78 KDM4E (0.52) LMNAHTTNAMPTRAB9ANPC1
SCHEMBL6134270 0.77 MAPK8 (0.51) LMNAHTTRAB9ANPC1ALDH1A1

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-20050004134-A1 Thiazole derivative and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2005-01-06 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-20050004134-A1 Thiazole derivative and pharmaceutical use thereof MC2R, CYP2C9, OXTR LMNA 4780/4885HTT 477/4885NAMPT 1681/4885

“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.