SCHEMBL21705586

SCHEMBL21705586

COc1cccc2[nH]c(-c3ccc(C(C)(C)C)cc3)nc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 2/20 0.62
HDAC6 Q9UBN7 1/20 0.57
TNKS O95271 9/20 0.56
TNKS2 Q9H2K2 9/20 0.56
PARP1 P09874 6/20 0.56
ALOX15 P16050 2/20 0.54
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
HPGD P15428 1/20 0.54
CYP2C19 P33261 1/20 0.54
CBFB Q13951 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HSD17B10 Q99714 1/20 0.54
PARP2 Q9UGN5 5/20 0.54
GNRHR P30968 3/20 0.50
MGAM O43451 2/20 0.50
GAA P10253 2/20 0.50
SI P14410 2/20 0.50

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
SCHEMBL31027953 1.00 HPSE (0.62) HPSEHDAC6TNKSTNKS2PARP1
SCHEMBL20597842 0.84 MGAM (0.68) HPSETNKSTNKS2PARP1ALOX15
SCHEMBL28027630 0.84 HPSE (0.65) HPSETNKSTNKS2PARP1ALOX15
SCHEMBL29625822 0.84 HPSE (0.65) HPSETNKSTNKS2PARP1ALOX15
SCHEMBL1170818 0.82 CBFB (0.69) HPSETNKSTNKS2PARP1ALOX15
SCHEMBL22452313 0.81 MGAM (0.68) HPSEHDAC6TNKSTNKS2PARP1
SCHEMBL31063846 0.81 MGAM (0.68) HPSEHDAC6TNKSTNKS2PARP1
SCHEMBL21705587 0.80 HDAC6 (0.60) HDAC6TNKSTNKS2PARP1GNRHR
SCHEMBL3286051 0.80 HDAC6 (0.60) HDAC6PARP1GNRHRMGAMGAA
SCHEMBL21705584 0.80 HDAC6 (0.60) HDAC6TNKSTNKS2PARP1GNRHR

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 HPSE 4612/4885HDAC6 101/4885TNKS 1704/4885
US-20210300877-A1 2-ARYLBENZIMIDAZOLES AS PPARGC1A ACTIVATORS FOR TREATING NEURODEGENERATIVE DISEASES PPARG, PPARA, PPARD HPSE 3663/4885HDAC6 91/4885TNKS 4057/4885
US-20210061769-A1 2-ARYLBENZIMIDAZOLES AS PPARGC1A ACTIVATORS FOR TREATING NEURODEGENERATIVE DISEASES PPARG, PPARA, PPARD HPSE 4413/4885HDAC6 107/4885TNKS 1408/4885
US-11111217-B2 2-arylbenzimidazoles as Ppargc1a activators for treating neurodegenerative diseases PPARG, PPARA, PPARD HPSE 4413/4885HDAC6 107/4885TNKS 1408/4885
US-10851066-B2 2-arylbenzimidazoles as PPARGC1A activators for treating neurodegenerative diseases PPARG, PPARA, PPARD HPSE 4612/4885HDAC6 101/4885TNKS 1704/4885

“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.