SCHEMBL29774136

SCHEMBL29774136

O=C(CN(Cc1ccccn1)Cc1ccccn1)Nc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.58
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 2/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.51
LIN28A Q9H9Z2 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HDAC1 Q13547 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49

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
SCHEMBL16626906 1.00 MAPK1 (0.58) MAPK1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL20393849 0.87 RAB9A (0.60) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL4015506 0.86 SMN1; SMN2 (0.57) MAPK1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL16619803 0.85 CA1 (0.46) MAPK1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL16626961 0.85 HTR1A (0.46) MAPK1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL16620250 0.84 CNR1 (0.46) MAPK1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL28486801 0.84 TUBB4A (0.47) MAPK1NPC1RAB9ALMNAMAPT
SCHEMBL21183428 0.84 TUBB4A (0.47) MAPK1NPC1RAB9ALMNAMAPT
SCHEMBL21183429 0.83 L3MBTL1 (0.52) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL19876892 0.83 MAPT (0.50) MAPK1RAB9ASMN1; SMN2MAPTLIN28A

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-20240400471-A1 LABELING METHOD, OXIDANT FOR LABELING, RUTHENIUM COMPLEX, CATALYST, LABELING COMPOUND, AND COMPOUND KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2024-12-05 US disclosed
WO-2022138748-A1 LABELING METHOD, OXIDANT FOR LABELING, RUTHENIUM COMPLEX, CATALYST, LABELING COMPOUND, AND COMPOUND 国立大学法人九州大学 2022-06-30 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-20240400471-A1 LABELING METHOD, OXIDANT FOR LABELING, RUTHENIUM COMPLEX, CATALYST, LABELING COMPOUND, AND COMPOUND HAO2, LPO, HAO1 MAPK1 3710/4885NPC1 3431/4885RAB9A 677/4885

“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.