SCHEMBL21705381

SCHEMBL21705381

CC(C)(C)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 2/20 0.64
▸ GCGR P47871 1/20 0.53
▸ TRPV1 Q8NER1 3/20 0.52
▸ NPBWR1 P48145 2/20 0.52
▸ TNKS O95271 3/20 0.51
▸ TNKS2 Q9H2K2 3/20 0.51
▸ PARP1 P09874 2/20 0.51
▸ KDM4E B2RXH2 4/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ HPGD P15428 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ TP53 P04637 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ HSD17B10 Q99714 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ FTO Q9C0B1 1/20 0.50
▸ SCD O00767 1/20 0.48
▸ NPC1 O15118 3/20 0.48

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
SCHEMBL31063780 1.00 HDAC6 (0.64) HDAC6GCGRTRPV1NPBWR1TNKS
SCHEMBL9032997 0.87 ALDH1A1 (0.62) NPBWR1KDM4EALDH1A1HPGDMEN1
SCHEMBL3335014 0.86 ALDH1A1 (0.61) NPBWR1TNKSTNKS2KDM4EALDH1A1
SCHEMBL22955865 0.85 KDM4E (0.50) HDAC6NPBWR1KDM4EALDH1A1HPGD
SCHEMBL2360806 0.84 CSNK1D (0.51) HDAC6GCGRTRPV1NPBWR1TNKS
SCHEMBL31027896 0.84 HDAC6 (0.66) HDAC6TRPV1NPBWR1TNKSTNKS2
SCHEMBL21705321 0.84 HDAC6 (0.66) HDAC6TRPV1NPBWR1TNKSTNKS2
SCHEMBL22452444 0.82 HDAC6 (0.64) HDAC6TRPV1NPBWR1TNKSTNKS2
SCHEMBL21705325 0.82 HDAC6 (0.64) HDAC6TRPV1NPBWR1TNKSTNKS2
SCHEMBL22452314 0.82 HDAC6 (0.64) HDAC6TRPV1NPBWR1TNKSTNKS2

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 HDAC6 101/4885GCGR 533/4885TRPV1 1245/4885
US-20210300877-A1 2-ARYLBENZIMIDAZOLES AS PPARGC1A ACTIVATORS FOR TREATING NEURODEGENERATIVE DISEASES PPARG, PPARA, PPARD HDAC6 91/4885GCGR 1822/4885TRPV1 2380/4885
US-20210061769-A1 2-ARYLBENZIMIDAZOLES AS PPARGC1A ACTIVATORS FOR TREATING NEURODEGENERATIVE DISEASES PPARG, PPARA, PPARD HDAC6 107/4885GCGR 598/4885TRPV1 1157/4885
US-11111217-B2 2-arylbenzimidazoles as Ppargc1a activators for treating neurodegenerative diseases PPARG, PPARA, PPARD HDAC6 107/4885GCGR 598/4885TRPV1 1157/4885
US-10851066-B2 2-arylbenzimidazoles as PPARGC1A activators for treating neurodegenerative diseases PPARG, PPARA, PPARD HDAC6 101/4885GCGR 533/4885TRPV1 1245/4885

“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.

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