SCHEMBL1094479

SCHEMBL1094479

COC(=O)c1cccc(NC(=O)N(c2c3ccccc3nn2-c2ccc(Cl)cc2)C2CCCCC2)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.40
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
THRB P10828 1/20 0.37
ABCC1 P33527 1/20 0.36
NPC1 O15118 1/20 0.36
HSD17B10 Q99714 3/20 0.36
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 2/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA1 P30542 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
ALOX12 P18054 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL1093159 0.92 ABCC1 (0.43) KDM4EALDH1A1SMN1; SMN2ABCC1NPC1
SCHEMBL1095144 0.86 POLB (0.41) KDM4EALDH1A1SMN1; SMN2HPGDNPSR1
SCHEMBL1093689 0.85 RAB9A (0.41) ALDH1A1SMN1; SMN2NPC1HPGDKMT2A
SCHEMBL1093664 0.83 UBE2M (0.42) NPC1NPSR1CNR1CNR2KMT2A
SCHEMBL1094465 0.81 NR1H4 (0.42) ALDH1A1NPC1NPSR1CNR1CNR2
SCHEMBL1092852 0.81 POLB (0.40) KDM4EALDH1A1NPSR1KMT2APOLB
SCHEMBL1094760 0.80 UBE2M (0.43) ALDH1A1SMN1; SMN2NPC1HPGDKMT2A
SCHEMBL1093936 0.79 CNR1 (0.46) KDM4EALDH1A1GAACNR1CNR2
SCHEMBL1094704 0.79 SMN1; SMN2 (0.45) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL1093283 0.78 CNR1 (0.44) KDM4EALDH1A1GAACNR1CNR2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346834-B1 3-AMINO-INDAZOLE OR 3-AMINO-4,5,6,7-TETRAHYDRO-INDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2013-11-20 EP disclosed
US-8153663-B2 3-amino-indazole or 3-amino-4,5,6,7-tetrahydro-indazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-04-10 US disclosed
EP-2346834-A1 3-AMINO-INDAZOLE OR 3-AMINO-4,5,6,7-TETRAHYDRO-INDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-07-27 EP disclosed
WO-2010034657-A1 3-AMINO-INDAZOLE OR 3-AMINO-4,5,6,7-TETRAHYDRO-INDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-04-01 WO disclosed
US-20100076026-A1 3-AMINO-INDAZOLE OR 3-AMINO-4,5,6,7-TETRAHYDRO-INDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2010-03-25 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-20100076026-A1 3-AMINO-INDAZOLE OR 3-AMINO-4,5,6,7-TETRAHYDRO-INDAZOLE DERIVATIVES NR1H4, SLC10A2, SLC10A1 KDM4E 3530/4885ALDH1A1 1274/4885SMN1; SMN2 4864/4885

“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.