SCHEMBL31344107

SCHEMBL31344107

Cc1ccn2c(Nc3ccc4c(c3)OCO4)c(-c3ccc(O)cc3)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 17/20 1.00
▸ GAA P10253 17/20 1.00
▸ KDM4E B2RXH2 4/20 1.00
▸ MAPK1 P28482 2/20 1.00
▸ TP53 P04637 7/20 0.79
▸ SMN1; SMN2 Q16637 4/20 0.79
▸ ALDH1A1 P00352 4/20 0.72
▸ HPGD P15428 3/20 0.72
▸ THRB P10828 1/20 0.69
▸ POLB P06746 3/20 0.67
▸ MEN1 O00255 2/20 0.67
▸ LMNA P02545 2/20 0.67
▸ KMT2A Q03164 2/20 0.67
▸ L3MBTL1 Q9Y468 2/20 0.67
▸ USP2 O75604 1/20 0.67
▸ PPP1CA P62136 1/20 0.67
▸ HTT P42858 2/20 0.66
▸ TDP1 Q9NUW8 1/20 0.66
▸ HSD17B10 Q99714 2/20 0.63
▸ ALOX15 P16050 1/20 0.63

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
SCHEMBL10077294 1.00 MAPT (1.00) MAPTGAAKDM4EMAPK1TP53
SCHEMBL31344185 0.88 MAPT (0.79) MAPTGAAKDM4EMAPK1TP53
SCHEMBL10077268 0.88 MAPT (1.00) MAPTGAAKDM4EMAPK1TP53
SCHEMBL19569163 0.86 MAPT (0.83) MAPTGAAKDM4EMAPK1TP53
SCHEMBL10077266 0.86 MAPT (1.00) MAPTGAAKDM4EMAPK1TP53
SCHEMBL14016030 0.85 MAPT (0.75) MAPTGAAKDM4EMAPK1TP53
SCHEMBL19568911 0.82 MAPT (1.00) MAPTGAAKDM4EMAPK1TP53
SCHEMBL2252757 0.82 MAPT (0.69) MAPTGAAKDM4EMAPK1TP53
SCHEMBL10077270 0.82 GAA (1.00) MAPTGAAKDM4EMAPK1TP53
SCHEMBL10077293 0.81 MAPT (1.00) MAPTGAAKDM4EMAPK1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240408072-A1 COMPOSITION FOR PREVENTING OR TREATING GRAVES' DISEASE COMPRISING COMPOUND CONTAINING AN IMIDAZOPYRIDINE STRUCTURE AS ACTIVE INGREDIENT ESGELBIO INC. (KR) 2024-12-12 — — 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-20240408072-A1 COMPOSITION FOR PREVENTING OR TREATING GRAVES' DISEASE COMPRISING COMPOUND CONTAINING AN IMIDAZOPYRIDINE STRUCTURE AS ACTIVE INGREDIENT TPO, GIPR, TRHDE MAPT 4662/4885GAA 467/4885KDM4E 1921/4885

“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.

Send feedback