SCHEMBL13874759

SCHEMBL13874759

Nc1cccc(NC(=O)c2cccs2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 1.00
SMN1; SMN2 Q16637 3/20 1.00
KMT2A Q03164 8/20 0.69
MEN1 O00255 7/20 0.69
LMNA P02545 1/20 0.69
GFER P55789 1/20 0.69
KCNK3 O14649 2/20 0.67
KCNK9 Q9NPC2 2/20 0.67
NPC1 O15118 3/20 0.65
RAB9A P51151 3/20 0.65
TDP1 Q9NUW8 1/20 0.65
MAPK1 P28482 2/20 0.63
USP2 O75604 1/20 0.63
GAA P10253 1/20 0.63
ALOX15 P16050 1/20 0.63
CASP3 P42574 1/20 0.61
SENP8 Q96LD8 1/20 0.61
SENP7 Q9BQF6 1/20 0.61
SENP6 Q9GZR1 1/20 0.61
HSD17B10 Q99714 1/20 0.59

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
SCHEMBL23011772 0.89 KCNK3 (0.82) MAPTSMN1; SMN2KMT2AMEN1KCNK3
SCHEMBL7717513 0.82 MEN1 (1.00) MAPTSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL4001863 0.82 MAPT (0.67) MAPTSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL12496157 0.81 KCNK3 (0.82) MAPTSMN1; SMN2KMT2AMEN1KCNK3
SCHEMBL28844856 0.81 KMT2A (0.74) MAPTSMN1; SMN2KMT2AMEN1KCNK3
SCHEMBL29684523 0.81 KMT2A (0.74) MAPTSMN1; SMN2KMT2AMEN1KCNK3
SCHEMBL2529744 0.81 LMNA (0.69) MAPTSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL30535354 0.81 SMN1; SMN2 (0.68) MAPTSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL25351544 0.81 SMN1; SMN2 (0.68) MAPTSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL11077480 0.80 KCNK3 (0.78) MAPTSMN1; SMN2KMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111057021-B S-triazine compound, preparation method and application thereof 中国药科大学 2023-05-23 CN disclosed
CN-111057021-A S-triazine compound and its preparing method and use 中国药科大学 2020-04-24 CN disclosed
EP-2048142-A2 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof Eisai R&D Management Co., Ltd. (JP) 2009-04-15 EP disclosed
US-20090082570-A1 METHOD OF MANUFACTURING BIPYRIDINIUM COMPOUND AND SYNTHETIC INTERMEDIATE OF THE SAME, METHOD OF MANUFACTURING DYE COMPOUND, AND NOVEL BIPYRIDINIUM COMPOUND AND NOVEL DYE COMPOUND COMPRISING THE SAME FUJIFILM CORPORATION (JP) 2009-03-26 US disclosed
US-20090082570-A1 METHOD OF MANUFACTURING BIPYRIDINIUM COMPOUND AND SYNTHETIC INTERMEDIATE OF THE SAME, METHOD OF MANUFACTURING DYE COMPOUND, AND NOVEL BIPYRIDINIUM COMPOUND AND NOVEL DYE COMPOUND COMPRISING THE SAME FUJIFILM CORPORATION (JP) 2009-03-26 US disclosed
EP-1382603-B1 NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2008-07-23 EP 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-20090082570-A1 METHOD OF MANUFACTURING BIPYRIDINIUM COMPOUND AND SYNTHETIC INTERMEDIATE OF THE SAME, METHOD OF MANUFACTURING DYE COMPOUND, AND NOVEL BIPYRIDINIUM COMPOUND AND NOVEL DYE COMPOUND COMPRISING THE SAME RRS1, RPS3, ADRM1 MAPT 3461/4885SMN1; SMN2 3677/4885KMT2A 2647/4885

“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.