SCHEMBL3309734

SCHEMBL3309734

CN(C(=O)O)c1nc2c(s1)C(=O)C(C(=O)c1cccnc1)CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
ALOX15 P16050 2/20 0.39
HSD17B10 Q99714 9/20 0.38
ALDH1A1 P00352 5/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TP53 P04637 2/20 0.35
TSHR P16473 2/20 0.35
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GAA P10253 3/20 0.35

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
SCHEMBL3308151 0.84 HTT (0.40) KDM4EMEN1KMT2AL3MBTL1MAPT
SCHEMBL3308142 0.82 HTT (0.39) KDM4EMEN1KMT2AL3MBTL1MAPT
SCHEMBL3273645 0.79 ALDH1A1 (0.47) KDM4EMEN1KMT2AL3MBTL1MAPT
SCHEMBL798617 0.78 PIK3CG (0.49) KDM4EMEN1KMT2AL3MBTL1MAPT
SCHEMBL3277199 0.78 ALDH1A1 (0.46) KDM4EMEN1KMT2AL3MBTL1MAPT
SCHEMBL10103040 0.77 ALDH1A1 (0.45) KDM4EMEN1KMT2AL3MBTL1MAPT
SCHEMBL3277195 0.76 ALDH1A1 (0.47) KDM4EMEN1KMT2AL3MBTL1MAPT
SCHEMBL10111227 0.75 ALDH1A1 (0.45) KDM4EMEN1KMT2AL3MBTL1MAPT
SCHEMBL10103042 0.74 RAB9A (0.42) KDM4EMEN1KMT2AL3MBTL1MAPT
SCHEMBL3310229 0.69 ALDH1A1 (0.31) ALDH1A1

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-8207349-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
US-20100113414-A1 THIAZOLYL-DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-06 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-20100113414-A1 THIAZOLYL-DIHYDRO-INDAZOLES MKI67, CYP11B1, IGF1R KDM4E 3378/4885MEN1 796/4885KMT2A 3678/4885

“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.