SCHEMBL21705331

SCHEMBL21705331

CC(C)(C)c1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 18/20 0.77
DHODH Q02127 2/20 0.72
PLA2G2A P14555 1/20 0.70
ALOX15 P16050 1/20 0.70
PTGS2 P35354 1/20 0.70
PARP2 Q9UGN5 1/20 0.69
CHEK2 O96017 2/20 0.68
PLK4 O00444 1/20 0.68
MAPK13 O15264 1/20 0.68
DYRK3 O43781 1/20 0.68
ROCK2 O75116 1/20 0.68
RPS6KA5 O75582 1/20 0.68
PRKD3 O94806 1/20 0.68
MAP4K4 O95819 1/20 0.68
PIM1 P11309 1/20 0.68
PHKG2 P15735 1/20 0.68
PRKACA P17612 1/20 0.68
RPS6KB1 P23443 1/20 0.68
CSNK1D P48730 1/20 0.68
CLK2 P49760 1/20 0.68

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
SCHEMBL31027911 1.00 PARP1 (0.77) PARP1DHODHPLA2G2AALOX15PTGS2
SCHEMBL21705588 0.88 DHODH (0.73) PARP1DHODH
SCHEMBL31027888 0.88 DHODH (0.73) PARP1DHODH
SCHEMBL7318483 0.87 PARP1 (1.00) PARP1DHODHPLA2G2AALOX15PTGS2
SCHEMBL18252746 0.85 PARP1 (0.78) PARP1DHODHPLA2G2AALOX15PTGS2
SCHEMBL2298622 0.84 PARP1 (0.69) PARP1DHODHPLA2G2AALOX15PTGS2
SCHEMBL7316597 0.84 PARP1 (1.00) PARP1DHODHPLA2G2AALOX15PTGS2
SCHEMBL29380664 0.84 PARP1 (1.00) PARP1DHODHPLA2G2AALOX15PTGS2
SCHEMBL505358 0.84 PARP1 (1.00) PARP1DHODHPLA2G2AALOX15PTGS2
SCHEMBL423551 0.84 PARP1 (1.00) PARP1DHODHPLA2G2AALOX15PTGS2

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
US-20210300877-A1 2-ARYLBENZIMIDAZOLES AS PPARGC1A ACTIVATORS FOR TREATING NEURODEGENERATIVE DISEASES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2021-09-30 US disclosed
US-11111217-B2 2-arylbenzimidazoles as Ppargc1a activators for treating neurodegenerative diseases THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2021-09-07 US disclosed
US-20210061769-A1 2-ARYLBENZIMIDAZOLES AS PPARGC1A ACTIVATORS FOR TREATING NEURODEGENERATIVE DISEASES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2021-03-04 US disclosed
US-10851066-B2 2-arylbenzimidazoles as PPARGC1A activators for treating neurodegenerative diseases THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2020-12-01 US disclosed
US-20200299244-A1 2-ARYLBENZIMIDAZOLES AS PPARGC1A ACTIVATORS FOR TREATING NEURODEGENERATIVE DISEASES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2020-09-24 US disclosed
WO-2020033359-A1 2-ARYLBENZIMIDAZOLES AS PPARGC1A ACTIVATORS FOR TREATING NEURODEGENERATIVE DISEASES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2020-02-13 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 (5 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-20200299244-A1 2-ARYLBENZIMIDAZOLES AS PPARGC1A ACTIVATORS FOR TREATING NEURODEGENERATIVE DISEASES PPARG, PPARA, PPARD PARP1 2130/4885DHODH 4319/4885PLA2G2A 1465/4885
US-20210300877-A1 2-ARYLBENZIMIDAZOLES AS PPARGC1A ACTIVATORS FOR TREATING NEURODEGENERATIVE DISEASES PPARG, PPARA, PPARD PARP1 2280/4885DHODH 4467/4885PLA2G2A 908/4885
US-20210061769-A1 2-ARYLBENZIMIDAZOLES AS PPARGC1A ACTIVATORS FOR TREATING NEURODEGENERATIVE DISEASES PPARG, PPARA, PPARD PARP1 2078/4885DHODH 4301/4885PLA2G2A 1505/4885
US-11111217-B2 2-arylbenzimidazoles as Ppargc1a activators for treating neurodegenerative diseases PPARG, PPARA, PPARD PARP1 2078/4885DHODH 4301/4885PLA2G2A 1505/4885
US-10851066-B2 2-arylbenzimidazoles as PPARGC1A activators for treating neurodegenerative diseases PPARG, PPARA, PPARD PARP1 2130/4885DHODH 4319/4885PLA2G2A 1465/4885

“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.