SCHEMBL21705379

SCHEMBL21705379

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.59
DGAT1 O75907 2/20 0.56
SOAT1 P35610 1/20 0.56
KCNH2 Q12809 1/20 0.56
RHEB Q15382 1/20 0.56
PKN1 Q16512 1/20 0.52
PKN2 Q16513 1/20 0.52
CSNK1D P48730 4/20 0.52
CSNK1G2 P78368 3/20 0.52
CSNK1A1 P48729 1/20 0.52
GSK3B P49841 1/20 0.52
KIF11 P52732 1/20 0.51
TRPV1 Q8NER1 3/20 0.49
NPBWR1 P48145 1/20 0.49
CHEK2 O96017 1/20 0.49
SCD O00767 1/20 0.45
TNKS O95271 2/20 0.45
TNKS2 Q9H2K2 2/20 0.45
KIT P10721 1/20 0.45
PARP1 P09874 1/20 0.44

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
SCHEMBL31027982 1.00 HDAC6 (0.59) HDAC6DGAT1SOAT1KCNH2RHEB
SCHEMBL1842216 0.85 PKN1 (0.59) DGAT1SOAT1KCNH2RHEBPKN1
SCHEMBL1842081 0.82 RHEB (0.59) DGAT1SOAT1KCNH2RHEBPKN1
SCHEMBL8412123 0.82 RHEB (0.59) DGAT1SOAT1KCNH2RHEBPKN1
SCHEMBL19994470 0.82 RHEB (0.59) DGAT1SOAT1KCNH2RHEBPKN1
SCHEMBL3333407 0.82 RHEB (0.68) DGAT1SOAT1KCNH2RHEBPKN1
SCHEMBL28267390 0.81 CHEK2 (0.61) DGAT1SOAT1KCNH2RHEBPKN1
SCHEMBL10765155 0.81 RHEB (0.59) DGAT1SOAT1KCNH2RHEBPKN1
SCHEMBL30343743 0.81 RHEB (0.56) DGAT1SOAT1KCNH2RHEBPKN1
SCHEMBL20001680 0.81 RHEB (0.56) DGAT1SOAT1KCNH2RHEBPKN1

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 101/4885DGAT1 497/4885SOAT1 2048/4885
US-20210300877-A1 2-ARYLBENZIMIDAZOLES AS PPARGC1A ACTIVATORS FOR TREATING NEURODEGENERATIVE DISEASES PPARG, PPARA, PPARD HDAC6 91/4885DGAT1 800/4885SOAT1 2641/4885
US-20210061769-A1 2-ARYLBENZIMIDAZOLES AS PPARGC1A ACTIVATORS FOR TREATING NEURODEGENERATIVE DISEASES PPARG, PPARA, PPARD HDAC6 107/4885DGAT1 386/4885SOAT1 1637/4885
US-11111217-B2 2-arylbenzimidazoles as Ppargc1a activators for treating neurodegenerative diseases PPARG, PPARA, PPARD HDAC6 107/4885DGAT1 386/4885SOAT1 1637/4885
US-10851066-B2 2-arylbenzimidazoles as PPARGC1A activators for treating neurodegenerative diseases PPARG, PPARA, PPARD HDAC6 101/4885DGAT1 497/4885SOAT1 2048/4885

“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.