SCHEMBL200514

SCHEMBL200514

FC1(F)Oc2ccccc2O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.45
CTNNB1 P35222 3/20 0.44
WNT3A P56704 3/20 0.44
ALOX5 P09917 1/20 0.38
HDAC4 P56524 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.36
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
NOTUM Q6P988 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CG P48736 1/20 0.35
KIF11 P52732 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.33
LMNA P02545 3/20 0.32
HTT P42858 2/20 0.32
CRHBP P24387 2/20 0.32
CRHR2 Q13324 2/20 0.32

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
SCHEMBL31043065 0.82 GPR3 (0.35) GPR3CTNNB1WNT3AHDAC4NOTUM
SCHEMBL848935 0.81 ALOX5 (0.38) GPR3CTNNB1WNT3AALOX5ABCG2
SCHEMBL2346478 0.80 CTNNB1 (0.38) GPR3CTNNB1WNT3AHDAC4PIK3CA
SCHEMBL6990050 0.77 ALOX5 (0.35) GPR3CTNNB1WNT3AALOX5ABCG2
SCHEMBL2708355 0.77 ALOX5 (0.35) GPR3CTNNB1WNT3AALOX5ABCG2
SCHEMBL24181276 0.77 ALOX5 (0.35) GPR3CTNNB1WNT3AALOX5ABCG2
SCHEMBL8764608 0.77 ALOX5 (0.35) GPR3CTNNB1WNT3AALOX5ABCG2
SCHEMBL19492665 0.77 ALOX5 (0.35) GPR3CTNNB1WNT3AALOX5ABCG2
SCHEMBL7489327 0.75 KIF11 (0.55) GPR3CTNNB1WNT3AALOX5HDAC4
SCHEMBL30185992 0.73 ALOX5 (0.41) ALOX5ABCG2ITGB2ICAM1ITGAL

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 1298 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12594261-B2 Use of heterocyclic derivatives with cardiomyocyte proliferation activity for treatment of heart diseases SHANGHAI EAST HOSPITAL (EAST HOSPITAL, TONGJI UNIVERSITY SCHOOL OF MEDICINE) (CN) 2026-04-07 US claimed
EP-4043017-B1 CANCER TREATMENT USING COMBINATIONS OF ERK AND RAF INHIBITORS BIOMED VALLEY DISCOVERIES INC (US) 2026-01-28 EP claimed
US-12492193-B2 Pyrazole derivatives for the treatment of cystic fibrosis FONDAZIONE INSTITUTO ITALIANO DI TECNOLOGIA (IT) 2025-12-09 US claimed
US-20250122218-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2025-04-17 US claimed
EP-4511018-A1 4-CHROMONE DERIVATIVES AS N-POLYMERASE INHIBITORS FOR USE IN THE TREATMENT PLATINUM RESISTANT METASTATIC NEOPLASM Fondazione Istituto Italiano di Tecnologia (IT) 2025-02-26 EP claimed
EP-4476230-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2024-12-18 EP claimed
EP-3082423-B1 CANCER TREATMENTS USING COMBINATIONS OF CDK AND ERK INHIBITORS BIOMED VALLEY DISCOVERIES INC (US) 2024-12-11 EP claimed
US-12071404-B2 Aza (indole)-, benzothiophene-, and benzofuran-3-sulfonamides UCB PHARMA GMBH (DE) 2024-08-27 US claimed
WO-2024128305-A1 2-AZABICYCLO[3.1.1]HEPTANE COMPOUND 第一三共株式会社 2024-06-20 WO claimed
CN-117813077-A Composition and method for producing the same 西姆莱斯股份公司 2024-04-02 CN claimed
US-5432290-A Fluorination RHONE-POULENC CHIMIE (FR) 1995-07-11 US claimed
US-5420301-A Process for the preparation of substituted difluorobenzo-1,3-dioxoles CIBA-GEIGY CORPORATION (US) 1995-05-30 US claimed
EP-0333661-B1 Process for the preparation of a pyrole derivative CIBA GEIGY AG (CH) 1994-04-27 EP claimed
US-5281718-A Reacting in one pot reaction 2,2-difluorobenzodioxole with an organometal compound or metal to form 4-metallo-2,2-difluorobenzodioxole, reacting with unsaturated nitrile, then with isocyanide CIBA-GEIGY CORPORATION (US) 1994-01-25 US claimed
EP-0505742-A2 Process for the production of 4-cyanopyrrole compounds substituted at the 3-position BAYER AG (DE) 1992-09-30 EP claimed
EP-0333661-A2 Process for the preparation of a pyrole derivative CIBA-GEIGY AG (CH) 1989-09-20 EP claimed
EP-0333658-A2 Process for the preparation of substituted difluorbenzo-1,3-dioxoles CIBA-GEIGY AG (CH) 1989-09-20 EP claimed
US-4791124-A INSECTICIDES, MITICIDES, NEMATOCIDES FMC CORPORATION (US) 1988-12-13 US claimed
CN-87103235-A The photosensitive azole pesticides 1988-06-08 CN claimed
WO-1987006429-A1 PHOTOACTIVE AZOLE PESTICIDES FMC CORPORATION (US) 1987-11-05 WO claimed

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-12071404-B2 Aza (indole)-, benzothiophene-, and benzofuran-3-sulfonamides GPR17, GPR18, GPR27 GPR3 13/4885CTNNB1 3832/4885WNT3A 3138/4885
US-12492193-B2 Pyrazole derivatives for the treatment of cystic fibrosis CFTR, ABCC5, ABCC1 GPR3 447/4885CTNNB1 192/4885WNT3A 311/4885
US-12594261-B2 Use of heterocyclic derivatives with cardiomyocyte proliferation activity for treatment of heart diseases TNNT2, TNNI3, CCNO GPR3 483/4885CTNNB1 210/4885WNT3A 353/4885
US-20250122218-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B GPR3 982/4885CTNNB1 3162/4885WNT3A 3468/4885

“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.