SCHEMBL21705583

SCHEMBL21705583

CC(C)(C)c1ccc(-c2nc3cnccc3[nH]2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.66
GCGR P47871 1/20 0.51
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 3/20 0.50
TRPV1 Q8NER1 3/20 0.50
PKM P14618 2/20 0.50
NPBWR1 P48145 1/20 0.50
NPC1 O15118 1/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
AURKA O14965 1/20 0.50
TNKS O95271 2/20 0.49
TNKS2 Q9H2K2 2/20 0.49
PKN1 Q16512 1/20 0.47
PKN2 Q16513 1/20 0.47
KIF11 P52732 2/20 0.47
DGAT1 O75907 1/20 0.47
KCNH2 Q12809 1/20 0.47
SCD O00767 1/20 0.46

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
SCHEMBL31027907 1.00 HDAC6 (0.66) HDAC6GCGRALDH1A1KDM4ETRPV1
SCHEMBL13864512 0.88 ALDH1A1 (0.66) HDAC6GCGRALDH1A1KDM4ETRPV1
SCHEMBL11228706 0.82 ALDH1A1 (0.68) ALDH1A1KDM4EPKMNPC1HPGD
Hydrochloric Acid SCHEMBL7280780 0.81 NPC1 (0.56) GCGRALDH1A1KDM4EPKMNPBWR1
SCHEMBL21705324 0.81 NPC1 (0.46) HDAC6ALDH1A1KDM4EPKMNPC1
SCHEMBL31027947 0.81 NPC1 (0.46) HDAC6ALDH1A1KDM4EPKMNPC1
SCHEMBL6755306 0.80 HDAC6 (1.00) HDAC6ALDH1A1KDM4ETRPV1PKM
SCHEMBL18979386 0.80 HDAC6 (1.00) HDAC6ALDH1A1KDM4ETRPV1PKM
SCHEMBL29391436 0.80 HDAC6 (1.00) HDAC6ALDH1A1KDM4ETRPV1PKM
SCHEMBL23753448 0.80 KDM4E (0.54) GCGRALDH1A1KDM4EPKMNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024118936-A1 2-ARYLBENZIMIDAZOLE COMPOUNDS FOR THE TREATMENT OF HEMOGLOBINOPATHIES TRANQUIS THERAPEUTICS, INC. (US) 2024-06-06 WO claimed
US-12195432-B2 2-arylbenzimidazoles as Ppargc1a activators for treating neurodegenerative diseases THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2025-01-14 US disclosed
WO-2024137505-A2 METHOD OF IMPROVING CELL FITNESS IN AN EX-VIVO CELL POPULATION TRANQUIS THERAPEUTICS, INC. (US) 2024-06-27 WO disclosed
WO-2024118936-A1 2-ARYLBENZIMIDAZOLE COMPOUNDS FOR THE TREATMENT OF HEMOGLOBINOPATHIES TRANQUIS THERAPEUTICS, INC. (US) 2024-06-06 WO disclosed
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-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-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
CN-112805000-A 2-arylbenzimidazoles as PPARGC1A activators for the treatment of neurodegenerative diseases 小利兰·斯坦福大学董事会 2021-05-14 CN 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-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-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
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 (6 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 HDAC6 101/4885GCGR 533/4885ALDH1A1 2116/4885
US-20210300877-A1 2-ARYLBENZIMIDAZOLES AS PPARGC1A ACTIVATORS FOR TREATING NEURODEGENERATIVE DISEASES PPARG, PPARA, PPARD HDAC6 91/4885GCGR 1822/4885ALDH1A1 1659/4885
US-20210061769-A1 2-ARYLBENZIMIDAZOLES AS PPARGC1A ACTIVATORS FOR TREATING NEURODEGENERATIVE DISEASES PPARG, PPARA, PPARD HDAC6 107/4885GCGR 598/4885ALDH1A1 1649/4885
US-11111217-B2 2-arylbenzimidazoles as Ppargc1a activators for treating neurodegenerative diseases PPARG, PPARA, PPARD HDAC6 107/4885GCGR 598/4885ALDH1A1 1649/4885
US-10851066-B2 2-arylbenzimidazoles as PPARGC1A activators for treating neurodegenerative diseases PPARG, PPARA, PPARD HDAC6 101/4885GCGR 533/4885ALDH1A1 2116/4885
US-12195432-B2 2-arylbenzimidazoles as Ppargc1a activators for treating neurodegenerative diseases PPARG, PPARA, PPARD HDAC6 91/4885GCGR 1822/4885ALDH1A1 1659/4885

“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.