SCHEMBL1263809

SCHEMBL1263809

CCCCC1C(=O)N=C([O-])NC1=O.CCCCC1C(=O)N=C([O-])NC1=O.[Ca+2]

nearest known ligand 0.50

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.32
TP53 P04637 1/20 0.30
LMNA P02545 1/20 0.30
CYP19A1 P11511 1/20 0.30

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
SCHEMBL1262562 0.97 MEN1 (0.50) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL15363613 0.78 ALDH1A1 (0.51) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL9063018 0.73 ALDH1A1 (0.76) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL472502 0.70 ALDH1A1 (0.70) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL10785663 0.69 ALDH1A1 (0.31) ALDH1A1MAPT
SCHEMBL1263811 0.69 ALDH1A1 (0.68) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL1262566 0.69 ALDH1A1 (0.68) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL2580220 0.68 ALDH1A1 (0.67) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL3272912 0.67 ALDH1A1 (1.00) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL572791 0.66 ALDH1A1 (0.64) MEN1KMT2AKDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7879924-B2 Dental composite resin cement, dental primer and dental adhesive kit containing them KABUSHIKI KAISHA SHOFU (JP) 2011-02-01 US disclosed
US-20090048366-A1 Dental Composite Resin Cement, Dental Primer and Dental Adhesive Kit Containing Them KABUSHIKI KAISHA SHOFU (JP) 2009-02-19 US 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-20090048366-A1 Dental Composite Resin Cement, Dental Primer and Dental Adhesive Kit Containing Them CDH1, JMJD7, WDR91 MEN1 2893/4885KMT2A 224/4885KDM4E 544/4885

“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.