SCHEMBL1093495

SCHEMBL1093495

Clc1ccc(-n2nc3ccc(Cl)cc3c2Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.51
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
ATM Q13315 2/20 0.41
POLB P06746 2/20 0.40
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
GAA P10253 2/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
MPO P05164 1/20 0.38
RPA1 P27694 1/20 0.37
NR4A2 P43354 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL1094058 0.81 ESR2 (0.75) ESR2NPC1RAB9AMAPTLMNA
SCHEMBL1712290 0.81 ESR2 (0.44) ESR2NPC1RAB9AKDM4EMAPT
SCHEMBL1093738 0.76 LMNA (0.47) ESR2NPC1RAB9AKDM4EMAPT
SCHEMBL13436362 0.76 ESR2 (0.67) ESR2NPC1RAB9AMAPTATM
SCHEMBL31670573 0.73 ESR2 (0.67) ESR2KDM4EMAPTLMNASMN1; SMN2
SCHEMBL31268550 0.71 LMNA (0.46) ESR2NPC1RAB9AKDM4EMAPT
SCHEMBL23141366 0.69 ESR2 (0.54) ESR2RPA1
SCHEMBL28792817 0.69 ESR2 (0.74) ESR2NPC1RAB9AKDM4EMAPT
SCHEMBL5312199 0.68 ESR2 (0.71) ESR2NPC1RAB9AMAPTLMNA
SCHEMBL3603218 0.68 ESR2 (1.00) ESR2NPC1RAB9AMAPTPOLB

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 ESR2 1399/4885NPC1 226/4885RAB9A 1271/4885

“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.