SCHEMBL4047455

SCHEMBL4047455

Cc1ccc(S(=O)(=O)O)cc1.Cc1ccccc1-c1ccccc1CC1CCNCC1

nearest known ligand 0.37

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
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC6A4 P31645 1/20 0.37
GBA1 P04062 1/20 0.37
HTR6 P50406 3/20 0.36
CHRM1 P11229 3/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP2D6 P10635 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTR7 P34969 1/20 0.36

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
Bromide SCHEMBL4039561 0.83 GBA1 (0.49) MEN1KMT2ASLC6A4GBA1CHRM1
SCHEMBL3966077 0.72 GBA1 (0.56) SLC6A4GBA1LMNACYP2D6HTR2C
Aziridine SCHEMBL5185484 0.72 ALDH1A1 (0.50) HTTKDM4EALDH1A1LMNAMAPT
SCHEMBL7372408 0.72 NMT1 (0.42) MEN1KMT2AHTR6CHRM1HTT
SCHEMBL2942079 0.71 CYP2D6 (0.43) MEN1KMT2ASLC6A4HTR6HTT
Piperazine SCHEMBL5875357 0.71 ALDH1A1 (0.49) HTTKDM4EALDH1A1LMNAMAPT
Piperazine SCHEMBL7635861 0.71 ALDH1A1 (0.49) HTTKDM4EALDH1A1LMNAMAPT
SCHEMBL3582891 0.70 CYP2D6 (0.42) MEN1KMT2AHTR6HTTKDM4E
SCHEMBL3582264 0.70 CYP2D6 (0.42) MEN1KMT2AHTR6HTTKDM4E
SCHEMBL23850965 0.69 KDM4E (0.51) MEN1KMT2ASLC6A4HTR6HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1279519-B1 Image forming material and ammonium compound FUJIFILM CORP (JP) 2009-07-01 EP disclosed
US-6958205-B2 Usable as offset printing master; positive image forming material useful as positive planographic printing plate precursor for infrared laser which planographic printing plate precursor is used for direct plate-making from digital signal FUJI PHOTO FILM CO., LTD. (JP) 2005-10-25 US disclosed
US-20030143481-A1 Usable as offset printing master; positive image forming material useful as positive planographic printing plate precursor for infrared laser which planographic printing plate precursor is used for direct plate-making from digital signal FUJI PHOTO FILM CO., LTD. 2003-07-31 US disclosed
EP-1279519-A2 Image forming material and ammonium compound FUJI PHOTO FILM CO., LTD. (JP) 2003-01-29 EP 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 (1 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-20030143481-A1 Usable as offset printing master; positive image forming material useful as positive planographic printing plate precursor for infrared laser which planographic printing plate precursor is used for direct plate-making from digital signal COL1A1, ROCK1, P4HA1 MEN1 1113/4885KMT2A 2332/4885SLC6A4 4299/4885

“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.