SCHEMBL3137167

SCHEMBL3137167

Oc1ccc2nn(-c3ccccc3)cc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 1.00
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PSMD14 O00487 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
DUSP3 P51452 1/20 0.46
PTPN5 P54829 1/20 0.46
PTPN11 Q06124 1/20 0.46
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46

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
SCHEMBL23141346 0.89 ESR2 (0.81) ESR2MAPTSMN1; SMN2MEN1NPC1
SCHEMBL13492786 0.79 ESR2 (0.66) ESR2MAPTSMN1; SMN2MEN1NPC1
SCHEMBL28549714 0.79 ESR2 (0.66) ESR2MAPTSMN1; SMN2MEN1NPC1
SCHEMBL28553007 0.79 ESR2 (0.66) ESR2MAPTSMN1; SMN2MEN1NPC1
SCHEMBL28748630 0.79 ESR2 (0.66) ESR2MAPTSMN1; SMN2MEN1NPC1
SCHEMBL1872721 0.79 ESR2 (0.65) ESR2MAPTSMN1; SMN2MEN1NPC1
SCHEMBL2979520 0.77 ESR2 (0.62) ESR2MAPTSMN1; SMN2MEN1NPC1
SCHEMBL11901390 0.77 ESR2 (0.62) ESR2MAPTSMN1; SMN2MEN1NPC1
SCHEMBL11900203 0.77 ESR2 (0.62) ESR2MAPTSMN1; SMN2MEN1NPC1
SCHEMBL23141382 0.76 ESR2 (0.61) ESR2MEN1KMT2AGAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2010-01-07 US disclosed
CN-101238110-A Heterocyclic compounds as agonists for the thyroid receptor KAROBIO AB (SE) 2008-08-06 CN disclosed
EP-1899309-A1 HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2008-03-19 EP disclosed
WO-2007003419-A1 HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2007-01-11 WO 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-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR TSHR, GHSR, TRHR ESR2 270/4885MAPT 1760/4885SMN1; SMN2 4757/4885

“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.