SCHEMBL4112809

SCHEMBL4112809

O=C(O)NN=Cc1cc(F)cc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.49
NPC1 O15118 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
RAB9A P51151 5/20 0.47
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MAOB P27338 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
MAPT P10636 1/20 0.42
POLB P06746 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
SCN4A P35499 1/20 0.41
SCN9A Q15858 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.40
TP53 P04637 1/20 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
SCHEMBL4112808 1.00 CYP1A2 (0.49) CYP1A2NPC1SMN1; SMN2RAB9AKMT2A
SCHEMBL29496852 0.81 NPC1 (0.71) CYP1A2NPC1SMN1; SMN2RAB9AKMT2A
SCHEMBL22925017 0.80 LMNA (0.66) CYP1A2NPC1SMN1; SMN2RAB9AKMT2A
SCHEMBL7747081 0.76 MAOB (0.50) NPC1SMN1; SMN2RAB9AKMT2AMAOB
SCHEMBL7747082 0.76 MAOB (0.50) NPC1SMN1; SMN2RAB9AKMT2AMAOB
SCHEMBL23081589 0.75 MIF (0.62) CYP1A2NPC1SMN1; SMN2RAB9AKMT2A
SCHEMBL13903485 0.75 MIF (0.62) CYP1A2NPC1SMN1; SMN2RAB9AKMT2A
Hydrochloric Acid SCHEMBL5702977 0.74 MAOB (0.49) NPC1SMN1; SMN2RAB9AKMT2AMAOB
Hydrochloric Acid SCHEMBL5702982 0.74 MAOB (0.49) NPC1SMN1; SMN2RAB9AKMT2AMAOB
SCHEMBL22925057 0.74 NPC1 (0.78) CYP1A2NPC1SMN1; SMN2RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718612-B2 Inhibitors of receptor interacting protein kinase I for the treatment of disease BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-08-08 US disclosed
US-20210094951-A1 INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE I FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2021-04-01 US disclosed
WO-2021046515-A1 INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE I FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-03-11 WO disclosed
US-20090062358-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS CANO IVAN COLLADO 2009-03-05 US disclosed
EP-1335908-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS LILLY CO ELI (US) 2008-02-13 EP disclosed
US-7304062-B2 Peroxisome proliferator activated receptor alpha agonists ELI LILLY AND COMPANY (US) 2007-12-04 US disclosed
US-20040102500-A1 Peroxisome proliferator activated receptor alpha agonists CANO IVAN COLLADO (ES) 2004-05-27 US disclosed
EP-1335908-A2 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS ELI LILLY AND COMPANY (US) 2003-08-20 EP disclosed
WO-2002038553-A2 TRIAZOLE DERIVATIVES AND THEIR USE AS PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS ELI LILLY AND COMPANY (US) 2002-05-16 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 (4 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-20040102500-A1 Peroxisome proliferator activated receptor alpha agonists PPARG, PPARA, PPARD CYP1A2 430/4885NPC1 739/4885SMN1; SMN2 4345/4885
US-11718612-B2 Inhibitors of receptor interacting protein kinase I for the treatment of disease RIPK1, RIPK2, RIPK4 CYP1A2 4782/4885NPC1 1506/4885SMN1; SMN2 998/4885
US-20210094951-A1 INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE I FOR THE TREATMENT OF DISEASE RIPK1, RIPK2, RIPK4 CYP1A2 4782/4885NPC1 1506/4885SMN1; SMN2 998/4885
US-20090062358-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS PPARG, PPARA, PPARD CYP1A2 452/4885NPC1 604/4885SMN1; SMN2 4364/4885

“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.