SCHEMBL680457

SCHEMBL680457

CNCc1ccc(OC)cc1OC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.76
SLC6A4 P31645 4/20 0.65
HTR2A P28223 4/20 0.65
KCNH2 Q12809 2/20 0.65
SLC6A2 P23975 1/20 0.55
SLC6A3 Q01959 1/20 0.55
TSHR P16473 1/20 0.54
HTR2C P28335 1/20 0.54
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
NPC1 O15118 1/20 0.49
PKM P14618 1/20 0.49
RAB9A P51151 1/20 0.49
TP53 P04637 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL29485595 1.00 APLNR (0.76) APLNRSLC6A4HTR2AKCNH2SLC6A2
Hydrochloric Acid SCHEMBL30718133 0.98 APLNR (0.73) APLNRSLC6A4HTR2AKCNH2SLC6A2
SCHEMBL783785 0.86 APLNR (1.00) APLNRHTR2ATSHRHTR2CCA12
SCHEMBL3640314 0.86 SLC6A4 (0.58) APLNRSLC6A4HTR2AKCNH2SLC6A2
SCHEMBL3640743 0.86 APLNR (0.57) APLNRSLC6A4HTR2AKCNH2SLC6A2
SCHEMBL1254174 0.85 HTR2A (0.65) APLNRSLC6A4HTR2AKCNH2SLC6A2
SCHEMBL933063 0.85 APLNR (0.76) APLNRHTR2ATSHRHTR2CCA12
SCHEMBL145084 0.84 APLNR (0.68) APLNRHTR2ATSHRHTR2CCA12
SCHEMBL14017704 0.83 APLNR (0.54) APLNRSLC6A4HTR2AKCNH2SLC6A2
SCHEMBL19437111 0.83 APLNR (0.73) APLNRSLC6A4HTR2AKCNH2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
EP-4745117-A1 NOVEL INDENONE DERIVATIVE AND USE THEREOF Amyloid Solution Inc. (KR) 2026-05-20 EP disclosed
US-20260124204-A1 METALLOENZYME INHIBITOR COMPOUNDS EIKONIZO THERAPEUTICS, INC. (US) 2026-05-07 US disclosed
US-20250368649-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS MIRATI THERAPEUTICS INC (US) 2025-12-04 US disclosed
US-20250332173-A1 COMPOUNDS AND METHODS FOR MODULATING NUCLEIC ACID SPLICING REMIX THERAPEUTICS INC (US) 2025-10-30 US disclosed
US-12370194-B2 Metalloenzyme inhibitor compounds EIKONIZO THERAPEUTICS, INC. (US) 2025-07-29 US disclosed
US-20250223281-A1 ANTIDIABETIC COMPOUNDS AND COMPOSITIONS REZUBIO PHARMACEUTICALS CO., LTD (CN) 2025-07-10 US disclosed
WO-2025106383-A1 PYRROLIDINYL DERIVATIVES USEFUL AS HCN1/HCN 2 MODULATORS MERCK SHARP & DOHME LLC (US) 2025-05-22 WO disclosed
US-20250115620-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2025-04-10 US disclosed
US-20250034135-A1 ANTI-APOPTOTIC PROTEIN BCL-2 INHIBITOR, PHARMACEUTICAL COMPOSITION AND USES THEREOF Hangzhou Healzen Therapeutics Co., Ltd. (CN) 2025-01-30 US disclosed
US-7388014-B2 Quinazoline derivatives and therapeutic use thereof REXAHN PHARMACEUTICALS, INC. (US) 2008-06-17 US disclosed
US-7351742-B2 Sulfonamide derivatives for the treatment of diseases PFIZER INC. (US) 2008-04-01 US disclosed
WO-2008011518-A2 ENCAPSULATION SYSTEM DIAKINE THERAPEUTICS, INC. (US) 2008-01-24 WO disclosed
WO-2007146786-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RESTORING B-CELL MASS AND FUNCTION DIAKINE THERAPEUTICS, INC. (US) 2007-12-21 WO disclosed
US-20070249639-A1 Use of 9H-Purine-2,6-Diamine Derivatives in the Treatment of Proliferative Diseases and Novel 9H-Purine-2,6-Diamine Derivatives BAENTELI ROLF 2007-10-25 US disclosed
CN-1946405-A Use of 9h-purine-2,6-diamine derivatives in the treatment of proliferative diseases and novel 9h-purine-2,6-diamine derivatives NOVARTIS AG (CH) 2007-04-11 CN disclosed
EP-1734968-A2 USE OF 9H-PURINE-2,6-DIAMINE DERIVATIVES IN THE TREATMENT OF PROLIFERATIVE DISEASES AND NOVEL 9H-PURINE-2,6-DIAMINE DERIVATIVES Novartis AG (CH) 2006-12-27 EP disclosed
WO-2006074051-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RESTORING β-CELL MASS AND FUNCTION DIAKINE THERAPEUTICS, INC. (US) 2006-07-13 WO disclosed
WO-2005097135-A2 USE OF 9H-PURINE-2,6-DIAMINE DERIVATIVES IN THE TREATMENT OF PROLIFERATIVE DISEASES AND NOVEL 9H-PURINE-2,6-DIAMINE DERIVATIVES NOVARTIS AG (CH) 2005-10-20 WO disclosed
WO-2003084931-A1 5H-BENZO[4,5]CYCLOHEPTA[1,2-B]PYRIDINE NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2003-10-16 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 (8 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-20250332173-A1 COMPOUNDS AND METHODS FOR MODULATING NUCLEIC ACID SPLICING SNRPA, NSUN2, SNRPA1 APLNR 973/4885SLC6A4 2907/4885HTR2A 3146/4885
US-20250223281-A1 ANTIDIABETIC COMPOUNDS AND COMPOSITIONS GPR119, GLP1R, GPR65 APLNR 460/4885SLC6A4 3498/4885HTR2A 463/4885
US-20250034135-A1 ANTI-APOPTOTIC PROTEIN BCL-2 INHIBITOR, PHARMACEUTICAL COMPOSITION AND USES THEREOF BCL2, BAX, BCL2L1 APLNR 3861/4885SLC6A4 4875/4885HTR2A 2939/4885
US-20260124204-A1 METALLOENZYME INHIBITOR COMPOUNDS HDAC6, HDAC3, HDAC1 APLNR 1631/4885SLC6A4 2459/4885HTR2A 2799/4885
US-20250368649-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS KRAS, NRAS, HRAS APLNR 2051/4885SLC6A4 4656/4885HTR2A 4695/4885
US-20070249639-A1 Use of 9H-Purine-2,6-Diamine Derivatives in the Treatment of Proliferative Diseases and Novel 9H-Purine-2,6-Diamine Derivatives HPRT1, NUDT1, DPYD APLNR 577/4885SLC6A4 908/4885HTR2A 426/4885
US-20250115620-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF SDHA, SDHB, DHFR APLNR 4709/4885SLC6A4 3224/4885HTR2A 4339/4885
US-12370194-B2 Metalloenzyme inhibitor compounds HDAC6, HDAC1, HDAC2 APLNR 3242/4885SLC6A4 3418/4885HTR2A 4117/4885

“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.