SCHEMBL6133906

SCHEMBL6133906

COc1ccccc1C(=O)Nc1nc(-c2ccccc2)c(-c2ccc(=O)n(C(C)C)n2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.49
NPC1 O15118 7/20 0.49
PKM P14618 1/20 0.49
PAX8 Q06710 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 7/20 0.48
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 2/20 0.45
ESR1 P03372 1/20 0.45
ADORA2A P29274 2/20 0.44
ADORA1 P30542 1/20 0.44
GLA P06280 1/20 0.44
XIAP P98170 1/20 0.43

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
SCHEMBL6133782 0.90 ADORA2A (0.41) RAB9ANPC1PKMPAX8L3MBTL1
SCHEMBL6134312 0.88 ALDH1A1 (0.47) RAB9ANPC1MAPTNPSR1ALDH1A1
SCHEMBL6133733 0.87 NPC1 (0.56) RAB9ANPC1PKMMAPTALDH1A1
SCHEMBL6133630 0.87 ALDH1A1 (0.46) RAB9ANPC1PKMMAPTALDH1A1
SCHEMBL6133156 0.86 CNR1 (0.47) RAB9ANPC1MAPTNPSR1ALDH1A1
SCHEMBL6133303 0.86 ADORA2A (0.60) RAB9ANPC1MAPTALDH1A1KMT2A
SCHEMBL6133220 0.86 ADORA1 (0.58) RAB9ANPC1L3MBTL1MAPTLMNA
SCHEMBL6133853 0.85 ADORA2A (0.43) RAB9ANPC1PKMMAPTLMNA
SCHEMBL6133654 0.84 ALDH1A1 (0.54) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL6133257 0.84 SMN1; SMN2 (0.56) RAB9ANPC1MAPTNPSR1ALDH1A1

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 RAB9A 1067/4885NPC1 2391/4885PKM 806/4885

“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.