SCHEMBL14587771

SCHEMBL14587771

CC(C)(C)c1cccc(-c2nc3ccccc3[nH]2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.70
▸ KDM4E B2RXH2 10/20 0.61
▸ SMN1; SMN2 Q16637 9/20 0.61
▸ ALDH1A1 P00352 9/20 0.61
▸ NPC1 O15118 8/20 0.61
▸ RAB9A P51151 8/20 0.61
▸ HPGD P15428 4/20 0.61
▸ HSD17B10 Q99714 3/20 0.61
▸ TP53 P04637 2/20 0.61
▸ GAA P10253 1/20 0.60
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ POLB P06746 1/20 0.55
▸ PKM P14618 4/20 0.54
▸ MAPT P10636 3/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ NFKB2 Q00653 1/20 0.54
▸ RELA Q04206 1/20 0.54
▸ ABCB11 O95342 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL31063832 1.00 HDAC6 (0.70) HDAC6KDM4ESMN1; SMN2ALDH1A1NPC1
SCHEMBL31027899 0.88 HDAC6 (0.74) HDAC6KDM4ESMN1; SMN2ALDH1A1NPC1
SCHEMBL22452438 0.88 HDAC6 (0.74) HDAC6KDM4ESMN1; SMN2ALDH1A1NPC1
SCHEMBL21705326 0.85 NPBWR1 (0.67) HDAC6KDM4ESMN1; SMN2ALDH1A1NPC1
SCHEMBL30011485 0.85 NPBWR1 (0.67) HDAC6KDM4ESMN1; SMN2ALDH1A1NPC1
SCHEMBL21087571 0.84 NPC1 (0.67) HDAC6KDM4ESMN1; SMN2ALDH1A1NPC1
SCHEMBL20806658 0.84 NPC1 (0.52) HDAC6KDM4ESMN1; SMN2ALDH1A1NPC1
SCHEMBL3417301 0.84 NPC1 (0.78) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL22955865 0.83 KDM4E (0.50) HDAC6KDM4ESMN1; SMN2ALDH1A1NPC1
SCHEMBL34460121 0.83 MEN1 (0.57) HDAC6KDM4ESMN1; SMN2ALDH1A1NPC1

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 12 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
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-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-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-10442788-B2 Hepatitis B antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2019-10-15 — — US disclosed
US-10280175-B2 Hepatitis B antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2019-05-07 — — US disclosed
US-20170217974-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2017-08-03 — — US disclosed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 — — 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 (9 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 101/4885KDM4E 2310/4885SMN1; SMN2 593/4885
US-20210300877-A1 2-ARYLBENZIMIDAZOLES AS PPARGC1A ACTIVATORS FOR TREATING NEURODEGENERATIVE DISEASES PPARG, PPARA, PPARD HDAC6 91/4885KDM4E 2901/4885SMN1; SMN2 39/4885
US-20210061769-A1 2-ARYLBENZIMIDAZOLES AS PPARGC1A ACTIVATORS FOR TREATING NEURODEGENERATIVE DISEASES PPARG, PPARA, PPARD HDAC6 107/4885KDM4E 2302/4885SMN1; SMN2 472/4885
US-11111217-B2 2-arylbenzimidazoles as Ppargc1a activators for treating neurodegenerative diseases PPARG, PPARA, PPARD HDAC6 107/4885KDM4E 2302/4885SMN1; SMN2 472/4885
US-20170217974-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, ZC3HAV1, SLC10A1 HDAC6 1114/4885KDM4E 1172/4885SMN1; SMN2 4809/4885
US-10851066-B2 2-arylbenzimidazoles as PPARGC1A activators for treating neurodegenerative diseases PPARG, PPARA, PPARD HDAC6 101/4885KDM4E 2310/4885SMN1; SMN2 593/4885
US-10442788-B2 Hepatitis B antiviral agents ZC3HAV1, ZC3HAV1L, HAVCR2 HDAC6 1930/4885KDM4E 1390/4885SMN1; SMN2 4775/4885
US-10280175-B2 Hepatitis B antiviral agents ZC3HAV1, HAVCR2, SLC10A1 HDAC6 1215/4885KDM4E 1439/4885SMN1; SMN2 4817/4885
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism BDKRB1, BDKRB2, NPBWR1 HDAC6 4325/4885KDM4E 4606/4885SMN1; SMN2 2731/4885

“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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