SCHEMBL18939809

SCHEMBL18939809

Cc1ccccc1-c1nnc(-c2ccccc2F)nn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
GAA P10253 3/20 0.59
ACHE P22303 1/20 0.50
CASP3 P42574 2/20 0.45
SENP8 Q96LD8 2/20 0.45
SENP7 Q9BQF6 2/20 0.45
SENP6 Q9GZR1 2/20 0.45
KCNN4 O15554 1/20 0.45
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
MBNL1 Q9NR56 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 3/20 0.40

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
SCHEMBL18939743 0.87 GAA (0.59) NPC1RAB9ASMN1; SMN2GAAACHE
SCHEMBL18920485 0.87 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2GAAL3MBTL1
SCHEMBL18938489 0.85 SMN1; SMN2 (0.45) NPC1RAB9ASMN1; SMN2GAAACHE
SCHEMBL25440287 0.80 GAA (0.53) NPC1RAB9ASMN1; SMN2GAAACHE
SCHEMBL23405305 0.80 MAPK1 (0.41) NPC1RAB9ASMN1; SMN2GAAKCNN4
SCHEMBL29781813 0.80 ACHE (0.62) NPC1RAB9ASMN1; SMN2GAAACHE
SCHEMBL321561 0.80 ACHE (0.62) NPC1RAB9ASMN1; SMN2GAAACHE
SCHEMBL18938787 0.77 NPC1 (0.61) NPC1RAB9ASMN1; SMN2GAACASP3
SCHEMBL18938463 0.77 NPC1 (0.61) NPC1RAB9ASMN1; SMN2L3MBTL1HPGD
SCHEMBL22357691 0.75 GAA (0.48) NPC1RAB9ASMN1; SMN2GAAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200262799-A1 PROCESS FOR PREPARING FUNCTIONALIZED 1,2,4,5-TETRAZINE COMPOUNDS UNIVERSITE DE BOURGOGNE (FR) 2020-08-20 US disclosed
WO-2017093263-A1 PROCESS FOR PREPARING FUNCTIONALIZED 1,2,4,5-TETRAZINE COMPOUNDS UNIVERSITE DE BOURGOGNE (FR) 2017-06-08 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-20200262799-A1 PROCESS FOR PREPARING FUNCTIONALIZED 1,2,4,5-TETRAZINE COMPOUNDS CYP4Z1, CYP4F12, CYP3A5 NPC1 2706/4885RAB9A 2920/4885SMN1; SMN2 2682/4885

“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.