SCHEMBL3375915

SCHEMBL3375915

CCOC(=O)c1cccnc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 2/20 0.42
TP53 P04637 1/20 0.42
UCHL1 P09936 1/20 0.42
BRD4 O60885 1/20 0.41
USP2 O75604 1/20 0.41
MAPK1 P28482 1/20 0.40
CDC25B P30305 1/20 0.40
ELANE P08246 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL20679740 0.80 KDM4E (0.47) TSHRHTTL3MBTL1ALDH1A1NPC1
SCHEMBL15882100 0.78 ALDH1A1 (0.42) HTTL3MBTL1ALDH1A1MAPK1NPC1
SCHEMBL29453753 0.78 TSHR (0.57) TSHRALDH1A1HSD17B10UCHL1USP2
SCHEMBL11662 0.78 TSHR (0.57) TSHRALDH1A1HSD17B10UCHL1USP2
SCHEMBL16111775 0.76 HSD17B10 (0.44) TSHRHTTALDH1A1HSD17B10TP53
SCHEMBL20723148 0.76 TSHR (0.50) TSHRHTTALDH1A1HSD17B10TP53
SCHEMBL12215764 0.76 TSHR (0.50) TSHRALDH1A1HSD17B10UCHL1USP2
SCHEMBL24107508 0.74 ALDH1A1 (0.36) TSHRHTTL3MBTL1ALDH1A1NPC1
SCHEMBL21198942 0.74 GSK3A (0.42) TSHRL3MBTL1ALDH1A1HSD17B10UCHL1
SCHEMBL16065191 0.74 UCHL1 (0.42) ALDH1A1UCHL1NPC1RAB9ASMN1; SMN2

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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 WO 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD TSHR 4310/4885HTT 3861/4885L3MBTL1 4616/4885

“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.