SCHEMBL102949

SCHEMBL102949

O=[N+]([O-])c1c(F)ccc(Br)c1O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.40
VCP P55072 1/20 0.38
GPR35 Q9HC97 3/20 0.36
GRIN2D O15399 2/20 0.36
GRIN3B O60391 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36
GRIN2B Q13224 2/20 0.36
GRIN2C Q14957 2/20 0.36
GRIN3A Q8TCU5 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HIF1A Q16665 1/20 0.36
ACLY P53396 1/20 0.34
VCAM1 P19320 1/20 0.34
TTR P02766 1/20 0.34
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL29833734 0.84 S100A4 (0.45) S100A4GPR35GRIN2DGRIN3BGRIN1
SCHEMBL103726 0.84 S100A4 (0.45) S100A4GPR35GRIN2DGRIN3BGRIN1
SCHEMBL16739101 0.80 VCP (0.40) VCPALDH1A1HIF1AVCAM1ATM
SCHEMBL29686335 0.80 VCP (0.40) VCPALDH1A1HIF1AVCAM1ATM
SCHEMBL5780946 0.77 ALDH1A1 (0.45) S100A4GPR35GRIN2DGRIN3BGRIN1
SCHEMBL21487236 0.77 TSHR (0.41) S100A4GPR35GRIN2DGRIN3BGRIN1
SCHEMBL16037644 0.77 GPR35 (0.42) S100A4VCPGPR35GRIN2DGRIN3B
SCHEMBL21487115 0.77 ALDH1A1 (0.50) S100A4GPR35GRIN2DGRIN3BGRIN1
SCHEMBL6382937 0.77 GPR35 (0.40) S100A4VCPGPR35GRIN2DGRIN3B
SCHEMBL102206 0.77 TSHR (0.45) S100A4GPR35GRIN2DGRIN3BGRIN1

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
US-12637435-B2 Nitrogen-containing heterocyclic compound or salt thereof, use thereof, and intermediate thereof FUJIFILM CORPORATION (JP) 2026-05-26 US disclosed
US-12577258-B2 Macrocyclic compound VERNALIS (R&D) LIMITED (GB) 2026-03-17 US disclosed
EP-4667461-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PARKINSON S AND GAUCHER DISEASE Children's Hospital Medical Center (US) 2025-12-24 EP disclosed
US-20250382274-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PARKINSON'S AND GAUCHER DISEASE CHILDRENS HOSPITAL MED CT (US) 2025-12-18 US disclosed
EP-4190402-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF, USE THEREOF, AND INTERMEDIATE THEREOF FUJIFILM CORP (JP) 2025-08-27 EP disclosed
US-20250163004-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2025-05-22 US disclosed
EP-4223368-B1 MACROCYCLIC COMPOUNDS INCORPORATING PIPERIDINE AND QUINOLINE OR QUNAXOLINE AS IRAK-4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY CONDITIONS ASAHI KASEI PHARMA CORP (JP) 2025-05-21 EP disclosed
US-20250115606-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. 2025-04-10 US disclosed
EP-4524139-A1 IMIDAZOPYRIDAZINE SUBSTITUTED BENZENE RING DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE Shanghai Simr Biotechnology Co., Ltd. (CN) 2025-03-19 EP disclosed
US-20250051338-A1 TYK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2025-02-13 US disclosed
US-20130178631-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2013-07-11 US disclosed
CN-102993084-A Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA 2013-03-27 CN disclosed
CN-101001846-B Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA 2012-11-07 CN disclosed
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2012-11-01 US disclosed
EP-2426115-A2 Alkynyl derivatives as modulators of metabotropic glutamate receptors Addex Pharma SA (CH) 2012-03-07 EP disclosed
US-8101637-B2 Alkynyl derivatives as modulators of metatropic glutamate receptors ADDEX PHARMA SA (CH) 2012-01-24 US disclosed
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2009-05-14 US disclosed
CN-101001846-A Novel alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA (CH) 2007-07-18 CN disclosed
EP-1765795-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2007-03-28 EP disclosed
WO-2005123703-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2005-12-29 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 (9 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-20130178631-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 S100A4 3878/4885VCP 2515/4885GPR35 36/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 S100A4 3700/4885VCP 3185/4885GPR35 37/4885
US-12577258-B2 Macrocyclic compound IRAK1, IRAK4, IRAK2 S100A4 4053/4885VCP 4455/4885GPR35 2402/4885
US-20250051338-A1 TYK2 DEGRADERS AND USES THEREOF TYK2, DYRK2, DYRK1A S100A4 4420/4885VCP 3387/4885GPR35 3422/4885
US-20250115606-A1 HETEROCYCLIC GLP-1 AGONISTS GLP1R, GIPR, GCGR S100A4 3270/4885VCP 2893/4885GPR35 69/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 S100A4 3878/4885VCP 2515/4885GPR35 36/4885
US-20250163004-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS TYK2, JAK2, STAT3 S100A4 3673/4885VCP 4663/4885GPR35 994/4885
US-20250382274-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PARKINSON'S AND GAUCHER DISEASE GBA1, GAA, GBA2 S100A4 4620/4885VCP 626/4885GPR35 2072/4885
US-12637435-B2 Nitrogen-containing heterocyclic compound or salt thereof, use thereof, and intermediate thereof CBR1, DHODH, CBR3 S100A4 3990/4885VCP 3939/4885GPR35 3504/4885

“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.