SCHEMBL3349093

SCHEMBL3349093

Cc1ccc(I)cc1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.50

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 2/20 0.50
GAA P10253 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
RAPGEF4 Q8WZA2 1/20 0.48
SNCA P37840 1/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
MMP1 P03956 2/20 0.47
MMP2 P08253 2/20 0.47
MMP9 P14780 2/20 0.47
MMP8 P22894 2/20 0.47
MMP13 P45452 2/20 0.47
TSHR P16473 2/20 0.46
CA12 O43570 1/20 0.46

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
Iodobenzene SCHEMBL3170250 0.90 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2LMNAGAAKDM4E
Iodobenzene SCHEMBL28504977 0.90 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2LMNAGAAKDM4E
Iodomethane SCHEMBL27669035 0.89 GAA (0.56) ALDH1A1SMN1; SMN2LMNAGAAKDM4E
SCHEMBL5068661 0.89 GAA (0.62) ALDH1A1SMN1; SMN2LMNAGAAKDM4E
SCHEMBL1705904 0.89 GAA (0.62) ALDH1A1SMN1; SMN2LMNAGAAKDM4E
P-Xylene SCHEMBL8660591 0.89 GAA (0.62) ALDH1A1SMN1; SMN2LMNAGAAKDM4E
SCHEMBL29991938 0.89 GAA (0.62) ALDH1A1SMN1; SMN2LMNAGAAKDM4E
SCHEMBL34 0.89 GAA (0.62) ALDH1A1SMN1; SMN2LMNAGAAKDM4E
SCHEMBL31313 0.89 GAA (0.62) ALDH1A1SMN1; SMN2LMNAGAAKDM4E
SCHEMBL11432043 0.89 GAA (0.62) ALDH1A1SMN1; SMN2LMNAGAAKDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025023187-A1 COMPOUND, HOLE TRANSPORT LAYER, COMPOSITION, AND POWER GENERATION DEVICE 三菱ケミカル株式会社 2025-01-30 WO disclosed
US-20240156997-A1 POSITRON EMISSION TOMOGRAPHY RADIOTRACER FOR DISEASES ASSOCIATED WITH TRANSLOCATOR PROTEIN OVEREXPRESSION, TRANSLOCATOR PROTEIN-TARGETING LIGAND FOR FLUORESCENCE IMAGING-GUIDED SURGERY AND PHOTODYNAMIC THERAPY, AND PRODUCTION METHODS THEREFOR SEOUL NATIONAL UNIVERSITY R&DB FOUNDATION (KR) 2024-05-16 US disclosed
US-20200345870-A1 POSITRON EMISSION TOMOGRAPHY RADIOTRACER FOR DISEASES ASSOCIATED WITH TRANSLOCATOR PROTEIN OVEREXPRESSION, TRANSLOCATOR PROTEIN-TARGETING LIGAND FOR FLUORESCENCE IMAGING-GUIDED SURGERY AND PHOTODYNAMIC THERAPY, AND PRODUCTION METHODS THEREFOR SEOUL NATIONAL UNIVERSITY R&DB FOUNDATION (KR) 2020-11-05 US disclosed
US-10005794-B2 Production method for 2-fluoro-4-borono-L-phenylalanine, and precursor of 2-fluoro-4-borono-L-phenylalanine STELLA PHARMA CORPORATION (JP) 2018-06-26 US disclosed
US-20160311836-A1 PRODUCTION METHOD FOR 2-FLUORO-4-BORONO-L-PHENYLALANINE, AND PRECURSOR OF 2-FLUORO-4-BORONO-L-PHENYLALANINE STELLA PHARMA CORPORATION (JP) 2016-10-27 US disclosed
WO-2010066357-A1 BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-17 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 (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-10005794-B2 Production method for 2-fluoro-4-borono-L-phenylalanine, and precursor of 2-fluoro-4-borono-L-phenylalanine NPR1, NPFFR2, NPFFR1 ALDH1A1 2574/4885SMN1; SMN2 3711/4885LMNA 4028/4885
US-20240156997-A1 POSITRON EMISSION TOMOGRAPHY RADIOTRACER FOR DISEASES ASSOCIATED WITH TRANSLOCATOR PROTEIN OVEREXPRESSION, TRANSLOCATOR PROTEIN-TARGETING LIGAND FOR FLUORESCENCE IMAGING-GUIDED SURGERY AND PHOTODYNAMIC THERAPY, AND PRODUCTION METHODS THEREFOR TSPO, FABP7, SLC46A1 ALDH1A1 2424/4885SMN1; SMN2 2420/4885LMNA 4272/4885
US-20160311836-A1 PRODUCTION METHOD FOR 2-FLUORO-4-BORONO-L-PHENYLALANINE, AND PRECURSOR OF 2-FLUORO-4-BORONO-L-PHENYLALANINE NPR1, NPFFR2, NPFFR1 ALDH1A1 2574/4885SMN1; SMN2 3711/4885LMNA 4028/4885
US-20200345870-A1 POSITRON EMISSION TOMOGRAPHY RADIOTRACER FOR DISEASES ASSOCIATED WITH TRANSLOCATOR PROTEIN OVEREXPRESSION, TRANSLOCATOR PROTEIN-TARGETING LIGAND FOR FLUORESCENCE IMAGING-GUIDED SURGERY AND PHOTODYNAMIC THERAPY, AND PRODUCTION METHODS THEREFOR TSPO, TMEM14C, FABP7 ALDH1A1 2990/4885SMN1; SMN2 1600/4885LMNA 4600/4885

“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.