Sugi Predict

Sugi Predict / Compounds / SCHEMBL3756100

SCHEMBL3756100

SCHEMBL3756100

Cc1cc(F)ccc1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.59
▸ BACE1 P56817 2/20 0.46
▸ CYP2A6 P11509 1/20 0.42
▸ CYP2B6 P20813 1/20 0.42
▸ OXTR P30559 1/20 0.41
▸ AVPR1A P37288 1/20 0.41
▸ NMT1 P30419 1/20 0.40
▸ PTGS2 P35354 2/20 0.40
▸ PPARG P37231 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ GPR3 P46089 1/20 0.39
▸ CTSA P10619 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ STAT1 P42224 1/20 0.39
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ FABP2 P12104 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ AKR1C4 P17516 1/20 0.39

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
SCHEMBL3748937 0.86 PDE3B (0.46) ESR2OXTRAVPR1ANMT1PTGS2
SCHEMBL28588008 0.84 MAPT (0.48) ESR2BACE1NMT1MEN1KMT2A
SCHEMBL1030329 0.83 BACE1 (0.46) ESR2BACE1CYP2A6CYP2B6STAT1
SCHEMBL15344231 0.82 ACHE (0.54) ESR2BACE1NMT1PDE3BPDE3A
SCHEMBL20937690 0.81 L3MBTL1 (0.50) ESR2BACE1MEN1TSHRKMT2A
SCHEMBL14039912 0.81 PDE3B (0.44) ESR2NMT1PTGS2PPARGGPR3
SCHEMBL3756908 0.80 S1PR1 (0.46) CYP2A6GPR3TSHR
SCHEMBL11665495 0.79 BACE1 (0.44) BACE1CYP2A6PTGS2GPR3ALOX5
SCHEMBL13354684 0.79 NMT1 (0.41) NMT1PTGS2PDE3BPDE3ATSHR
SCHEMBL11693574 0.79 ESR2 (0.55) ESR2NMT1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 — — US claimed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 — — EP claimed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 — — WO claimed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 — — US claimed
CN-117729921-A Compounds and methods as PD1/PD-L1 inhibitors 朱比兰特普罗德尔有限公司 2024-03-19 — — CN disclosed
US-11040966-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2021-06-22 — — US disclosed
US-20190263797-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-08-29 — — US disclosed
US-10329287-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2019-06-25 — — US disclosed
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2017-10-26 — — US disclosed
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2017-10-26 — — US disclosed
US-9732075-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-15 — — US disclosed
US-9732075-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-15 — — US disclosed
US-20140291646-A1 PYRENE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-10-02 — — US disclosed
US-20140183468-A1 PYRENE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-03 — — US disclosed
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 — — US disclosed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 — — EP disclosed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 — — WO disclosed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 — — US disclosed
CN-1207810-C Nonaqueous electrolyte and lithium secondary battery using the electrolyte MITSUI CHEMICALS INC (JP) 2005-06-22 — — CN disclosed
CN-1430306-A Nonaqueous electrolyte and lithium secondary battery using the electrolyte MITSUI CHEMICALS INC (JP) 2003-07-16 — — 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 (6 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-10329287-B2 Benzimidazole-proline derivatives HCRTR1, HCRTR2, NPY1R ESR2 921/4885BACE1 600/4885CYP2A6 1286/4885
US-11040966-B2 Benzimidazole-proline derivatives HCRTR1, HCRTR2, NPY1R ESR2 921/4885BACE1 600/4885CYP2A6 1286/4885
US-20080015237-A1 NEW COMPOUNDS I/418 KCNH1, KCNH2, KCNH3 ESR2 2091/4885BACE1 1075/4885CYP2A6 167/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 ESR2 1107/4885BACE1 2731/4885CYP2A6 270/4885
US-20190263797-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R ESR2 921/4885BACE1 600/4885CYP2A6 1286/4885
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R ESR2 921/4885BACE1 600/4885CYP2A6 1286/4885

“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.