SCHEMBL8364976

SCHEMBL8364976

Cn1c(C(=O)N=C(N)N)cc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 1.00
MCL1 Q07820 1/20 0.61
MAPT P10636 1/20 0.51
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
IDO1 P14902 1/20 0.48
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
PHGDH O43175 1/20 0.46
DAO P14920 1/20 0.45

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
SCHEMBL30604651 0.93 SLC9A1 (0.86) SLC9A1MCL1MAPTMEN1NPC1
SCHEMBL2323444 0.82 MCL1 (0.71) SLC9A1MCL1MAPTMEN1NPC1
Hydrochloric Acid SCHEMBL28264080 0.80 MCL1 (0.69) SLC9A1MCL1MAPTMEN1NPC1
SCHEMBL10031558 0.79 MCL1 (0.67) SLC9A1MCL1MAPTMEN1NPC1
SCHEMBL16599480 0.78 MCL1 (0.76) SLC9A1MCL1MAPTMEN1NPC1
SCHEMBL401039 0.76 MCL1 (0.73) SLC9A1MCL1MAPTMEN1NPC1
SCHEMBL117186 0.76 MCL1 (1.00) SLC9A1MCL1MAPTMEN1NPC1
SCHEMBL7268278 0.76 SLC9A1 (0.60) SLC9A1MCL1MAPTMEN1NPC1
Guanidine SCHEMBL8688091 0.75 MCL1 (0.81) SLC9A1MCL1MAPTMEN1NPC1
SCHEMBL2322980 0.75 MCL1 (0.71) SLC9A1MCL1MAPTMEN1NPC1

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-20090143473-A1 USE OF INHIBITORS OF THE CELLULAR NA+/H+ EXCHANGER (NHE) FOR PREPARING A MEDICAMENT FOR NORMALIZING SERUM LIPIDS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-06-04 US disclosed
WO-2003068212-A1 USE OF SODIUM/HYDROGEN EXCHANGE INHIBITORS FROM THE TREATMENT OF THROMBOTIC AND INFLAMMATORY DISEASES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-08-21 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-20090143473-A1 USE OF INHIBITORS OF THE CELLULAR NA+/H+ EXCHANGER (NHE) FOR PREPARING A MEDICAMENT FOR NORMALIZING SERUM LIPIDS NHERF1, LIPG, SLC8B1 SLC9A1 8/4885MCL1 3434/4885MAPT 3998/4885

“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.