SCHEMBL433715

SCHEMBL433715

Nc1nc(Cc2ccccc2)no1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.53
NPC1 O15118 3/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
RAB9A P51151 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
CHUK O15111 1/20 0.53
TXNRD1 Q16881 1/20 0.53
NOX4 Q9NPH5 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HTT P42858 1/20 0.53
TSHR P16473 1/20 0.49
NOTUM Q6P988 1/20 0.48
HDAC6 Q9UBN7 1/20 0.46
KLKB1 P03952 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
S1PR1 P21453 1/20 0.42

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
SCHEMBL13776650 0.81 MMP2 (0.46) L3MBTL1TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL3083752 0.78 L3MBTL1 (0.59) MAPK1NPC1L3MBTL1RAB9ATDP1
SCHEMBL11867175 0.77 CHUK (0.61) MAPK1NPC1L3MBTL1RAB9ATDP1
SCHEMBL2656622 0.77 MAPK1 (0.61) MAPK1NPC1L3MBTL1RAB9ATDP1
Hydrochloric Acid SCHEMBL12478356 0.77 MAPK1 (0.53) MAPK1NPC1L3MBTL1RAB9ATDP1
Hydrochloric Acid SCHEMBL12478354 0.77 MAPK1 (0.56) MAPK1NPC1L3MBTL1RAB9ATDP1
SCHEMBL13776649 0.76 MEN1 (0.54) HTTTSHRMEN1LMNAKMT2A
SCHEMBL7585415 0.76 NPC1 (0.79) MAPK1NPC1L3MBTL1RAB9ATDP1
SCHEMBL19265691 0.75 MAPK1 (0.55) MAPK1NPC1L3MBTL1RAB9ATDP1
SCHEMBL7979628 0.74 MAPK1 (0.57) MAPK1NPC1L3MBTL1RAB9ATDP1

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
EP-2595970-B1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI SA (FR) 2015-01-07 EP disclosed
EP-2595970-B1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI SA (FR) 2015-01-07 EP disclosed
US-20130137691-A1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI (FR) 2013-05-30 US disclosed
EP-2595970-A1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI (FR) 2013-05-29 EP disclosed
WO-2012011081-A1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI (FR) 2012-01-26 WO disclosed
US-3960849-A BACTERICIDES E. R. SQUIBB & SONS, INC. (US) 1976-06-01 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-20130137691-A1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS XDH, NOX3, OXA1L MAPK1 2359/4885NPC1 2209/4885L3MBTL1 3726/4885

“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.