SCHEMBL4243540

SCHEMBL4243540

COC(=O)c1ccc2nc(C)[nH]c2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.69
ESR2 Q92731 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
ALDH1A1 P00352 6/20 0.66
HTT P42858 2/20 0.66
KDM4E B2RXH2 2/20 0.66
LMNA P02545 2/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
POLB P06746 5/20 0.62
RAB9A P51151 4/20 0.62
HPGD P15428 4/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
BRD4 O60885 1/20 0.58
MMP2 P08253 1/20 0.54
MMP9 P14780 1/20 0.54
MMP8 P22894 1/20 0.54
MMP13 P45452 1/20 0.54
IRAK4 Q9NWZ3 1/20 0.53
NPC1 O15118 2/20 0.51
MEN1 O00255 1/20 0.51

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
Hydrochloric Acid SCHEMBL7324046 0.98 HSP90AA1 (0.68) HSP90AA1ESR2TDP1ALDH1A1HTT
SCHEMBL5032566 0.88 HSP90AA1 (0.53) HSP90AA1ESR2TDP1ALDH1A1HTT
Hydrochloric Acid SCHEMBL7324036 0.86 HSP90AA1 (0.51) HSP90AA1ESR2TDP1ALDH1A1HTT
SCHEMBL6169071 0.85 PKN1 (0.67) HSP90AA1ESR2TDP1ALDH1A1HTT
SCHEMBL30908290 0.84 KDM4E (0.61) HSP90AA1ESR2TDP1ALDH1A1HTT
SCHEMBL24282005 0.83 HTT (0.68) HSP90AA1ESR2TDP1ALDH1A1HTT
SCHEMBL1097139 0.83 HTT (0.64) HSP90AA1ESR2TDP1ALDH1A1HTT
SCHEMBL4682076 0.83 ALDH1A1 (0.64) HSP90AA1ESR2TDP1ALDH1A1HTT
SCHEMBL28396605 0.83 HTT (0.64) HSP90AA1ESR2TDP1ALDH1A1HTT
SCHEMBL6217370 0.83 HTT (0.64) HSP90AA1ESR2TDP1ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024019541-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF 일동제약(주) 2024-01-25 WO disclosed
CN-108290860-B Iminotetrahydropyrimidinone derivatives as PLASMEPSIN V inhibitors UCB生物制药有限责任公司 2021-08-10 CN disclosed
US-20180110755-A1 BENZIMIDAZOLE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY KANCERA AB (SE) 2018-04-26 US disclosed
US-8017605-B2 P38 kinase inhibiting agents MERCK SHARP & DOHME CORP. (US) 2011-09-13 US disclosed
US-20090325953-A1 P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME LLC 2009-12-31 US disclosed
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-02-19 US disclosed
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 US disclosed
US-20060235222-A1 Indole-derivative modulators of steroid hormone nuclear receptors ELI LILLY AND COMPANY (US) 2006-10-19 US disclosed
EP-1597254-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS Eli Lilly and Company (US) 2005-11-23 EP disclosed
WO-2004067529-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS ELI LILLY AND COMPANY (US) 2004-08-12 WO disclosed
EP-0734386-B1 PLATELET ACTIVATING FACTOR ANTAGONISTS: IMIDAZOPYRIDINE INDOLES ABBOTT LAB (US) 2002-02-06 EP disclosed
EP-0734386-A1 PLATELET ACTIVATING FACTOR ANTAGONISTS: IMIDAZOPYRIDINE INDOLES Abbott Laboratories (US) 1996-10-02 EP disclosed
US-5486525-A ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1996-01-23 US disclosed
WO-1995016687-A1 PLATELET ACTIVATING FACTOR ANTAGONISTS: IMIDAZOPYRIDINE INDOLES ABBOTT LABORATORIES (US) 1995-06-22 WO disclosed
EP-0376624-B1 4,5,6,7-Tetrahydrobenzimidazole derivatives and their preparation YAMANOUCHI PHARMA CO LTD (JP) 1994-09-14 EP disclosed
US-4977175-A GASTROINTESTINAL DISORDERS, ANTIEMETICS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1990-12-11 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-20070249599-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 HSP90AA1 130/4885ESR2 3733/4885TDP1 729/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA HSP90AA1 768/4885ESR2 3267/4885TDP1 549/4885
US-20180110755-A1 BENZIMIDAZOLE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY HDAC6, HDAC1, HDAC11 HSP90AA1 132/4885ESR2 4582/4885TDP1 374/4885
US-20090325953-A1 P38 KINASE INHIBITING AGENTS MAPK1, MAPK8, MAPKAPK2 HSP90AA1 177/4885ESR2 1191/4885TDP1 445/4885
US-20060235222-A1 Indole-derivative modulators of steroid hormone nuclear receptors NR3C2, NR5A1, MC2R HSP90AA1 954/4885ESR2 273/4885TDP1 3945/4885

“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.