SCHEMBL22452444

SCHEMBL22452444

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

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 2/20 0.64
▸ TRPV1 Q8NER1 4/20 0.52
▸ NPBWR1 P48145 2/20 0.52
▸ FGFR1 P11362 1/20 0.52
▸ FLT3 P36888 1/20 0.52
▸ CLK4 Q9HAZ1 1/20 0.52
▸ MMP2 P08253 5/20 0.51
▸ MMP9 P14780 5/20 0.51
▸ MMP8 P22894 5/20 0.51
▸ MMP13 P45452 5/20 0.51
▸ SCD O00767 1/20 0.48
▸ TNKS O95271 2/20 0.48
▸ TNKS2 Q9H2K2 2/20 0.48
▸ PARP1 P09874 1/20 0.47
▸ CNR1 P21554 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ GPR55 Q9Y2T6 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL31063815 1.00 HDAC6 (0.64) HDAC6TRPV1NPBWR1FGFR1FLT3
SCHEMBL31027896 0.84 HDAC6 (0.66) HDAC6TRPV1NPBWR1MMP2MMP9
SCHEMBL21705321 0.84 HDAC6 (0.66) HDAC6TRPV1NPBWR1MMP2MMP9
SCHEMBL21705325 0.82 HDAC6 (0.64) HDAC6TRPV1NPBWR1SCDTNKS
SCHEMBL21705377 0.82 HDAC6 (0.64) HDAC6TRPV1NPBWR1CLK4SCD
SCHEMBL21705381 0.82 HDAC6 (0.64) HDAC6TRPV1NPBWR1SCDTNKS
SCHEMBL21705322 0.82 HDAC6 (0.64) HDAC6TRPV1NPBWR1SCDTNKS
SCHEMBL22452314 0.82 HDAC6 (0.64) HDAC6TRPV1NPBWR1MMP2MMP9
SCHEMBL31027884 0.82 HDAC6 (0.64) HDAC6TRPV1NPBWR1CLK4SCD
SCHEMBL31027920 0.82 HDAC6 (0.64) HDAC6TRPV1NPBWR1MMP2MMP9

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 5 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

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 101/4885TRPV1 1245/4885NPBWR1 1047/4885
US-20210300877-A1 2-ARYLBENZIMIDAZOLES AS PPARGC1A ACTIVATORS FOR TREATING NEURODEGENERATIVE DISEASES PPARG, PPARA, PPARD HDAC6 91/4885TRPV1 2380/4885NPBWR1 2391/4885
US-20210061769-A1 2-ARYLBENZIMIDAZOLES AS PPARGC1A ACTIVATORS FOR TREATING NEURODEGENERATIVE DISEASES PPARG, PPARA, PPARD HDAC6 107/4885TRPV1 1157/4885NPBWR1 1350/4885
US-11111217-B2 2-arylbenzimidazoles as Ppargc1a activators for treating neurodegenerative diseases PPARG, PPARA, PPARD HDAC6 107/4885TRPV1 1157/4885NPBWR1 1350/4885
US-10851066-B2 2-arylbenzimidazoles as PPARGC1A activators for treating neurodegenerative diseases PPARG, PPARA, PPARD HDAC6 101/4885TRPV1 1245/4885NPBWR1 1047/4885

“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.

Send feedback