SCHEMBL4589000

SCHEMBL4589000

ClNOCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
IDO1 P14902 1/20 0.48
AGXT P21549 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HRAS P01112 1/20 0.43
BCHE P06276 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGS2 P35354 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HIF1A Q16665 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL538293 0.79 TSHR (0.57) TSHRNPC1RAB9AIDO1AGXT
Hydrochloric Acid SCHEMBL11220071 0.77 TSHR (0.55) TSHRNPC1RAB9AIDO1AGXT
SCHEMBL10106924 0.76 IDO1 (0.52) IDO1AGXTALDH1A1LMNA
SCHEMBL8863647 0.75 IDO1 (0.54) TSHRNPC1RAB9AIDO1AGXT
SCHEMBL4744780 0.75 TSHR (0.52) TSHRNPC1RAB9AIDO1AGXT
SCHEMBL28510963 0.75 TSHR (0.52) TSHRNPC1RAB9AIDO1AGXT
SCHEMBL4695833 0.75 NPC1 (0.53) TSHRNPC1RAB9AIDO1AGXT
SCHEMBL10107046 0.74 IDO1 (0.58) RAB9AIDO1ALDH1A1
SCHEMBL10106851 0.74 IDO1 (0.58) IDO1AGXTLMNA
Hydrochloric Acid SCHEMBL6477571 0.73 MAPT (0.50) TSHRNPC1RAB9AIDO1AGXT

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108373442-B Method for recovering abamectin intermediate isomer 台州职业技术学院 2020-07-03 CN claimed
CN-116744793-B Acarid-repellent composition and acarid-repellent product 大日本除虫菊株式会社 2026-02-27 CN disclosed
CN-120152730-A Recombinant IL-12 albumin binding domain fusion proteins for use in methods of treating cancer 索尼特生物治疗公司 2025-06-13 CN disclosed
CN-118510546-A Treatment of primary cholangitis (PBC) with tolerogenic nanoparticles 库尔制药开发公司 2024-08-16 CN disclosed
CN-118369345-A Bispecific antibodies targeting CD137 and their use for anticancer immunotherapy 圆祥生技股份有限公司 2024-07-19 CN disclosed
CN-118201961-A PD-L1 targeted fusion proteins and methods of use thereof GT生物制药公司 2024-06-14 CN disclosed
CN-117835999-A Methods and means for enhancing therapeutic antibodies 维肯芬特有限责任公司 2024-04-05 CN disclosed
CN-117729943-A Iron (III) macrocyclic complexes with mixed hydroxyl side groups as MRI contrast agents 纽约州立大学研究基金会 2024-03-19 CN disclosed
CN-117396607-A Recombinant vectors comprising polycistronic expression cassettes and methods of use thereof 阿劳诺斯治疗公司 2024-01-12 CN disclosed
CN-117120084-A Methods and means for modulating B cell mediated immune responses 维肯芬特有限责任公司 2023-11-24 CN disclosed
US-7329679-B2 1,2 Diarylbenzimidazoles and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2008-02-12 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-7115645-B2 1,2 diarylbenzimidazoles and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2006-10-03 US disclosed
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2006-09-14 US disclosed
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2006-05-04 US disclosed
US-20020006948-A1 1,2 diarylbenzimdazoles and their pharmaceutical use SCHERING AG 2002-01-17 US disclosed
EP-0126088-A1 ARYL SUBSTITUTED 7-OXABICYCLOHEPTANE COMPOUNDS E.R. SQUIBB & SONS, INC. (US) 1984-11-28 EP disclosed
US-4463015-A Aryl substituted 7-oxabicycloheptane compounds, useful in inhibiting platelet aggregation E. R. SQUIBB & SONS, INC. (US) 1984-07-31 US disclosed
WO-1984000754-A1 ARYL SUBSTITUTED 7-OXABICYCLOHEPTANE COMPOUNDS SQUIBB & SONS INC (US) 1984-03-01 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 (4 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-20020006948-A1 1,2 diarylbenzimdazoles and their pharmaceutical use CYP2E1, CYP1B1, CYP1A1 TSHR 4150/4885NPC1 961/4885RAB9A 2686/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG TSHR 4434/4885NPC1 1216/4885RAB9A 2600/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG TSHR 4434/4885NPC1 1216/4885RAB9A 2600/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 TSHR 4659/4885NPC1 2374/4885RAB9A 1239/4885

“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.