SCHEMBL8285706

SCHEMBL8285706

CCc1nc(C)ccc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.50
KDM4E B2RXH2 8/20 0.45
ALDH1A1 P00352 5/20 0.45
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 1/20 0.44
ATM Q13315 1/20 0.44
MAPT P10636 2/20 0.42
PDE10A Q9Y233 1/20 0.40
HPGD P15428 3/20 0.40
RAB9A P51151 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC10A2 Q12908 1/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
USP2 O75604 2/20 0.38
HSD17B10 Q99714 2/20 0.38

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
SCHEMBL14034809 0.86 PDE10A (0.44) S1PR4KDM4EALDH1A1GAATDP1
SCHEMBL3075399 0.85 KDM4E (0.59) S1PR4KDM4EALDH1A1GAATDP1
SCHEMBL8284459 0.83 KDM4E (0.42) S1PR4KDM4EALDH1A1TDP1MAPT
SCHEMBL3067223 0.83 KDM4E (0.42) S1PR4KDM4EALDH1A1MAPTHPGD
SCHEMBL16230349 0.80 S1PR4 (0.53) S1PR4KDM4EALDH1A1GAATDP1
SCHEMBL14003102 0.80 KDM4E (0.40) S1PR4KDM4EALDH1A1GAATDP1
SCHEMBL15099894 0.79 ALDH1A1 (0.47) KDM4EALDH1A1GAATDP1MEN1
SCHEMBL24198888 0.78 S1PR4 (0.50) S1PR4KDM4EALDH1A1GAATDP1
SCHEMBL9886153 0.76 KDM4E (0.39) S1PR4KDM4EALDH1A1MEN1KMT2A
SCHEMBL7921987 0.76 KDM4E (0.39) KDM4EALDH1A1MEN1KMT2AATM

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219965-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. 2023-07-13 US disclosed
US-20210236442-A1 METHODS FOR DELAYING OCCURRENCE OF NEW-ONSET TYPE 2 DIABETES AND FOR SLOWING PROGRESSION OF AND TREATING TYPE 2 DIABETES DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2021-08-05 US disclosed
WO-2018109202-A1 MONOCYCLIC OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2018-06-21 WO disclosed
CN-104254525-B aromatic ring compound TAKEDA PHARMACEUTICAL CO.,LTD. (JP) 2016-05-25 CN disclosed
US-20160045528-A1 COMBINATION THERAPY FOR TREATING A PARAMYXOVIRUS ALIOS BIOPHARMA, INC. 2016-02-18 US disclosed
US-20160045528-A1 COMBINATION THERAPY FOR TREATING A PARAMYXOVIRUS ALIOS BIOPHARMA, INC. 2016-02-18 US disclosed
WO-2016022464-A1 COMBINATION THERAPY FOR TREATING A PARAMYXOVIRUS ALIOS BIOPHARMA, INC. (US) 2016-02-11 WO disclosed
US-8883837-B2 Morpholinyl containing benzimidazoles as inhibitors of respiratory syncytial virus replication JANSSEN PHARMACEUTICA NV (BE) 2014-11-11 US disclosed
US-8193365-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-06-05 US disclosed
US-8044073-B2 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication TIBOTEC PHARMACEUTICALS (IE) 2011-10-25 US disclosed
US-8044073-B2 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication TIBOTEC PHARMACEUTICALS (IE) 2011-10-25 US disclosed
US-20100249024-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-09-30 US disclosed
US-7737295-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2010-06-15 US disclosed
US-20100099716-A1 CETP INHIBITORS MERCK SHARP & DOHME LLC 2010-04-22 US disclosed
EP-1697345-B1 MORPHOLINYL CONTAINING BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARM LTD (IE) 2008-03-12 EP disclosed
US-20070225365-A1 Cetp Inhibitors MERCK & CO., INC. (US) 2007-09-27 US disclosed
US-20070099924-A1 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication JANSSEN SCIENCES IRELAND UC (IE) 2007-05-03 US disclosed
US-20070099924-A1 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication JANSSEN SCIENCES IRELAND UC (IE) 2007-05-03 US disclosed
WO-2005058869-A1 AMINOBENZIMIDAZOLES AND BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARMACEUTICALS LTD. (IE) 2005-06-30 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 (7 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-20070099924-A1 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-2, H1-4 S1PR4 4471/4885KDM4E 704/4885ALDH1A1 1319/4885
US-20070225365-A1 Cetp Inhibitors CETP, APOB, NPC1 S1PR4 1006/4885KDM4E 2716/4885ALDH1A1 2315/4885
US-20210236442-A1 METHODS FOR DELAYING OCCURRENCE OF NEW-ONSET TYPE 2 DIABETES AND FOR SLOWING PROGRESSION OF AND TREATING TYPE 2 DIABETES IAPP, SLC5A2, SLC2A2 S1PR4 955/4885KDM4E 3516/4885ALDH1A1 3985/4885
US-20230219965-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS USP1, USP8, USP7 S1PR4 4818/4885KDM4E 679/4885ALDH1A1 2350/4885
US-20160045528-A1 COMBINATION THERAPY FOR TREATING A PARAMYXOVIRUS MAVS, EIF2AK2, SARS1 S1PR4 964/4885KDM4E 4080/4885ALDH1A1 2576/4885
US-20100249024-A1 CETP INHIBITORS CETP, APOB, NPC1 S1PR4 1006/4885KDM4E 2716/4885ALDH1A1 2315/4885
US-20100099716-A1 CETP INHIBITORS CETP, APOB, MTTP S1PR4 1001/4885KDM4E 1437/4885ALDH1A1 3887/4885

“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.