SCHEMBL475391

SCHEMBL475391

CN1CCOC(CCN=C=NC2CCCCC2)C1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.49

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 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.49
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.37
ALOX12 P18054 1/20 0.36
ACKR3 P25106 1/20 0.35
ALDH1A1 P00352 5/20 0.35
GAA P10253 3/20 0.35
KDM4E B2RXH2 1/20 0.34
POLB P06746 2/20 0.33
USP30 Q70CQ3 1/20 0.33
SLC12A2 P55011 1/20 0.33
SLC12A5 Q9H2X9 1/20 0.33
LMNA P02545 1/20 0.32
EPHX2 P34913 1/20 0.32
TSHR P16473 2/20 0.32
RECQL P46063 1/20 0.32
MAPK1 P28482 1/20 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
SCHEMBL7147430 0.84 CYP1A2 (0.52) CYP2C9CYP1A2
SCHEMBL7799784 0.81 CYP2C9 (0.51) CYP2C9CYP1A2CYP2D6ALOX12ALDH1A1
SCHEMBL475390 0.80 CYP2C9 (0.52) CYP2C9CYP1A2CYP2D6ALDH1A1GAA
SCHEMBL3459786 0.80 CYP1A2 (0.65) CYP2C9CYP1A2CYP2D6ALDH1A1GAA
SCHEMBL8170852 0.75 CYP2C9 (0.41) CYP2C9CYP1A2ALDH1A1KDM4E
SCHEMBL2534752 0.74 CYP2C9 (0.84) CYP2C9CYP1A2CYP2D6ALDH1A1LMNA
SCHEMBL17781744 0.74 CYP2C9 (0.42) CYP2C9CYP1A2CYP2D6ALOX12ALDH1A1
P-Xylene SCHEMBL3752326 0.74 CYP1A2 (0.70) CYP2C9CYP1A2ALDH1A1POLBTSHR
SCHEMBL31097886 0.72 CYP2C9 (0.51) CYP2C9CYP1A2ALDH1A1KDM4ELMNA
SCHEMBL6817229 0.72 CYP2C9 (0.41) CYP2C9CYP1A2KDM4ELMNAEPHX2

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-2412758-B1 POLYION COMPLEX COMPRISING HYDROPHOBIZED POLYAMINO ACID AND USE OF THE SAME UNIV KAGOSHIMA (JP) 2017-05-10 EP disclosed
US-8853354-B2 Polyion complex comprising hydrophobized polyamino acid and use of the same KAGOSHIMA UNIVERSITY (JP) 2014-10-07 US disclosed
US-20120095186-A1 POLYION COMPLEX COMPRISING HYDROPHOBIZED POLYAMINO ACID AND USE OF THE SAME KAGOSHIMA UNIVERSITY (JP) 2012-04-19 US disclosed
EP-2412758-A1 POLYION COMPLEX COMPRISING HYDROPHOBIZED POLYAMINO ACID AND USE OF SAME Kagoshima University (JP) 2012-02-01 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-20120095186-A1 POLYION COMPLEX COMPRISING HYDROPHOBIZED POLYAMINO ACID AND USE OF THE SAME PICALM, MICA, FIBP CYP2C9 4630/4885CYP1A2 4801/4885CYP2D6 4734/4885

“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.