SCHEMBL1093475

SCHEMBL1093475

CCOc1cccc(N(C(=O)NC2CCCCC2)c2c3ccccc3nn2-c2ccc(Cl)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.47
FAAH O00519 13/20 0.45
MGLL Q99685 3/20 0.45
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
THRB P10828 1/20 0.38
ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL1093562 0.94 FAAH (0.45) RXFP1FAAHMGLLHPGDRAB9A
SCHEMBL1093816 0.88 CNR1 (0.44) FAAHMGLLRAB9ACNR1CNR2
SCHEMBL1094213 0.86 CNR1 (0.45) FAAHCNR1CNR2KMT2AMEN1
SCHEMBL1093915 0.82 CNR1 (0.42) FAAHSMN1; SMN2CNR1CNR2KMT2A
SCHEMBL1093450 0.81 CNR1 (0.41) CNR1CNR2KMT2AMEN1ADORA3
SCHEMBL13393700 0.81 CNR1 (0.45) RAB9ACNR1CNR2KMT2A
SCHEMBL1093560 0.80 CNR1 (0.38) FAAHCNR1CNR2KMT2AMEN1
SCHEMBL1093561 0.80 CNR1 (0.38) FAAHCNR1CNR2KMT2AMEN1
SCHEMBL1094646 0.79 MPO (0.35) RXFP1FAAHMGLLCNR1CNR2
SCHEMBL1094649 0.79 MPO (0.35) RXFP1FAAHMGLLCNR1CNR2

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 13 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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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
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
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
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 RXFP1 251/4885FAAH 2198/4885MGLL 3208/4885

“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.