SCHEMBL780688

SCHEMBL780688

Clc1nc2ncccc2s1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HRH3 Q9Y5N1 1/20 0.40
LTA4H P09960 3/20 0.40
CRBN Q96SW2 3/20 0.37
DDB1 Q16531 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 2/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.34
KMT2A Q03164 2/20 0.34
SCD O00767 1/20 0.33

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 SCHEMBL1891560 0.98 NR4A2 (0.41) NR4A2ALDH1A1HRH3LTA4HCRBN
SCHEMBL29064014 0.78 KDM4E (0.46) ALDH1A1HRH3LTA4HCRBNDDB1
SCHEMBL21496679 0.77 HRH3 (0.41) ALDH1A1HRH3LTA4HCRBNDDB1
SCHEMBL29505248 0.75 HRH3 (0.40) ALDH1A1HRH3LTA4HCRBNDDB1
SCHEMBL1885424 0.75 HRH3 (0.40) ALDH1A1HRH3LTA4HCRBNDDB1
SCHEMBL1851678 0.75 PI4KA (0.46) ALDH1A1HRH3LTA4HCRBNSMN1; SMN2
SCHEMBL30319909 0.75 PI4KA (0.46) ALDH1A1HRH3LTA4HCRBNSMN1; SMN2
SCHEMBL4074962 0.75 HRH3 (0.40) ALDH1A1HRH3LTA4HCRBNDDB1
SCHEMBL19001500 0.75 HRH3 (0.40) ALDH1A1HRH3LTA4HCRBNDDB1
SCHEMBL906476 0.71 PSMB8 (0.49) ALDH1A1HRH3LTA4HCRBNDDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4634170-A1 IMIDAZO[4,5-B]PYRIDINE DERIVATIVES AS PCSK9 INHIBITORS AND METHODS OF USE THEREOF AstraZeneca AB (SE) 2025-10-22 EP disclosed
CN-119751465-A Spiro compounds C4医药公司 2025-04-04 CN disclosed
CN-119751456-A Spiro compounds C4医药公司 2025-04-04 CN disclosed
CN-112312904-B Spiro compounds C4医药公司 2025-01-07 CN disclosed
US-12060347-B2 Bicyclic heteroaryl substituted compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-13 US disclosed
US-20240239767-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-07-18 US disclosed
WO-2024126773-A1 IMIDAZO[4,5-B]PYRIDINE DERIVATIVES AS PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-06-20 WO disclosed
WO-2024118488-A1 2-PHENYLMORPHOLINE AND 2-PHENYL(THIO)MORPHOLINE COMPOUNDS AND USES THEREOF SUMITOMO PHARMA AMERICA, INC. (US) 2024-06-06 WO disclosed
US-20240174636-A1 NOVEL INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2024-05-30 US disclosed
EP-4313965-A1 NOVEL INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Yuhan Corporation (KR) 2024-02-07 EP disclosed
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2008-02-28 US disclosed
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2008-02-28 US disclosed
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2008-02-28 US disclosed
WO-2007146066-A2 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CRITICAL THERAPEUTICS, INC. (US) 2007-12-21 WO disclosed
WO-2007146066-A2 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CRITICAL THERAPEUTICS, INC. (US) 2007-12-21 WO disclosed
US-20070265298-A1 Preparation and Use of Biphenyl-4-Yl-Carbonylamino Acid Derivatives for the Treatment of Obesity BAYER PHARMACEUTICALS CORPORATION (US) 2007-11-15 US disclosed
US-20070265298-A1 Preparation and Use of Biphenyl-4-Yl-Carbonylamino Acid Derivatives for the Treatment of Obesity BAYER PHARMACEUTICALS CORPORATION (US) 2007-11-15 US disclosed
US-20070265298-A1 Preparation and Use of Biphenyl-4-Yl-Carbonylamino Acid Derivatives for the Treatment of Obesity BAYER PHARMACEUTICALS CORPORATION (US) 2007-11-15 US disclosed
EP-1805156-A2 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY Bayer Pharmaceuticals Corporation (US) 2007-07-11 EP disclosed
WO-2006044775-A2 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2006-04-27 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 (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-20240174636-A1 NOVEL INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME IDO1, IDO2, INMT NR4A2 3284/4885ALDH1A1 1514/4885HRH3 575/4885
US-20070265298-A1 Preparation and Use of Biphenyl-4-Yl-Carbonylamino Acid Derivatives for the Treatment of Obesity FABP4, GPR119, PGC NR4A2 309/4885ALDH1A1 93/4885HRH3 2594/4885
US-12060347-B2 Bicyclic heteroaryl substituted compounds F2, F2RL3, F12 NR4A2 1610/4885ALDH1A1 1598/4885HRH3 220/4885
US-20240239767-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF PCSK9, PCSK7, PCSK6 NR4A2 2220/4885ALDH1A1 4278/4885HRH3 547/4885
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof CHRNA7, CHRNA5, CHRNA2 NR4A2 1278/4885ALDH1A1 1032/4885HRH3 380/4885

“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.