Sugi Predict

Sugi Predict / Compounds / SCHEMBL15733288

SCHEMBL15733288

SCHEMBL15733288

[N-]=[N+]=Nc1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3E A5X5Y0 2/20 0.45
▸ HTR3B O95264 2/20 0.45
▸ HTR3A P46098 2/20 0.45
▸ HTR3D Q70Z44 2/20 0.45
▸ HTR3C Q8WXA8 2/20 0.45
▸ TSHR P16473 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.39
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ MAPT P10636 3/20 0.36
▸ GSK3B P49841 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NOS3 P29474 2/20 0.35
▸ NOS1 P29475 2/20 0.35
▸ NOS2 P35228 2/20 0.35

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
SCHEMBL29365405 1.00 HTR3E (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL29471939 0.82 S100B (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL15124607 0.82 S100B (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL30858726 0.82 GABRA1 (0.34) LMNANPC1MAPTMEN1RAB9A
SCHEMBL27630601 0.82 GABRA1 (0.34) LMNANPC1MAPTMEN1RAB9A
SCHEMBL27715016 0.80 HTR3E (0.32) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL27916853 0.79 POLB (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL14691418 0.79 HTR3E (0.31) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16295963 0.78 HPGD (0.41) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL15745922 0.76 MAPT (0.33) LMNANPC1MAPTMEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113773356-B Picroside II derivative and preparation method and application thereof 河南中医药大学 2024-02-02 — — CN claimed
CN-113773356-A Picroside II derivative and preparation method and application thereof 河南中医药大学 2021-12-10 — — CN claimed
US-12473263-B2 Bicyclic inhibitors of CBX chromodomains ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2025-11-18 — — US disclosed
CN-116082253-B 1-N-substituted 1,2, 3-triazole-4-carboxamide derivative and preparation method thereof 浙大城市学院 2025-04-25 — — CN disclosed
CN-113773356-B Picroside II derivative and preparation method and application thereof 河南中医药大学 2024-02-02 — — CN disclosed
CN-114671874-B Theophylline acetic acid derivative with anti-tumor activity and preparation method and application thereof 济南爱思医药科技有限公司 2024-02-02 — — CN disclosed
CN-116789611-A Synthetic method of selectively deuterated marked 1,2, 3-triazole 海南师范大学 2023-09-22 — — CN disclosed
CN-116751172-A Synthesis method of diiodinated 1,2, 3-triazole compound 海南师范大学 2023-09-15 — — CN disclosed
CN-116082253-A 1-N-substituted 1,2, 3-triazole-4-carboxamide derivative and preparation method thereof 浙大城市学院 2023-05-09 — — CN disclosed
US-20220402880-A1 BICYCLIC INHIBITORS OF CBX CHROMODOMAINS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2022-12-22 — — US disclosed
EP-4034250-A1 BICYCLIC INHIBITORS OF CBX CHROMODOMAINS Icahn School of Medicine at Mount Sinai (US) 2022-08-03 — — EP disclosed
WO-2012070024-A1 CARBONIC ANHYDRASE INHIBITORS WITH ANTIMETASTATIC ACTIVITY METASIGNAL THERAPEUTICS INC. (CA) 2012-05-31 — — WO disclosed
US-20110178057-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 — — US disclosed
CN-102123990-A Heterocyclic compounds and their use TAKEDA PHARMACEUTICAL 2011-07-13 — — CN disclosed
US-7858800-B2 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-12-28 — — US disclosed
US-20100137587-A1 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-06-03 — — US disclosed
US-20070191389-A1 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-16 — — US disclosed
CN-1980901-A Biaryl derivatives BANYU PHARMA CO LTD (JP) 2007-06-13 — — CN disclosed
EP-1764362-A1 BIARYL DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-03-21 — — EP disclosed
CN-1934094-A Diaryl substituted heterocyclic 5-membered ring derivatives BANYU PHARMA CO LTD (JP) 2007-03-21 — — CN 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-12473263-B2 Bicyclic inhibitors of CBX chromodomains CBX2, CBX3, CBX6 HTR3E 1128/4885HTR3B 1416/4885HTR3A 1177/4885
US-20110178057-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE HTR3E 1783/4885HTR3B 1011/4885HTR3A 1755/4885
US-20070191389-A1 Biaryl derivatives GRM1, GRIN1, GRIN2B HTR3E 310/4885HTR3B 128/4885HTR3A 102/4885
US-20100137587-A1 Heterocyclic compound and use thereof REN, AGT, ACE HTR3E 2819/4885HTR3B 1443/4885HTR3A 1943/4885
US-20220402880-A1 BICYCLIC INHIBITORS OF CBX CHROMODOMAINS CBX2, CBX3, CBX7 HTR3E 1924/4885HTR3B 2444/4885HTR3A 2619/4885

“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.