SCHEMBL1093397

SCHEMBL1093397

COC(=O)c1ccc(N=C=O)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA12 O43570 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
XDH P47989 1/20 0.45
PDK1 Q15118 2/20 0.43
PDK2 Q15119 2/20 0.43
PDK3 Q15120 2/20 0.43
PDK4 Q16654 2/20 0.43
MAPT P10636 7/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42

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
SCHEMBL1968518 0.86 ALDH1A1 (0.47) ALDH1A1CA1CA2CA12CA7
SCHEMBL1093410 0.83 CA1 (0.46) ALDH1A1CA1CA2CA12CA7
SCHEMBL1479648 0.82 ALDH1A1 (0.51) ALDH1A1CA1CA2CA12CA7
SCHEMBL940978 0.82 SRD5A2 (0.46) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL24890791 0.81 ALDH1A1 (0.61) ALDH1A1CA1CA2CA12CA7
SCHEMBL24890732 0.81 CA1 (0.45) ALDH1A1CA1CA2CA12CA7
SCHEMBL4248903 0.81 KDM4E (0.56) ALDH1A1CA1CA2CA12CA7
SCHEMBL27449156 0.80 KDM4E (0.44) ALDH1A1CA1CA2CA12CA7
SCHEMBL1093841 0.79 TRPA1 (0.53) ALDH1A1CA1CA2CA12CA7
SCHEMBL13218542 0.79 CA12 (0.44) ALDH1A1CA1CA2CA12CA7

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 ALDH1A1 1274/4885CA1 3147/4885CA2 972/4885

“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.