SCHEMBL4171040

SCHEMBL4171040

CC(C(N)=O)n1ccnc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
TBXA2R P21731 1/20 0.39
CYP19A1 P11511 2/20 0.39
KMT2A Q03164 3/20 0.38
CYP17A1 P05093 3/20 0.38
CYP26A1 O43174 3/20 0.37
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
SLC6A3 Q01959 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
SCHEMBL28177904 0.82 KDM4E (0.42) KDM4ETBXA2RCYP19A1KMT2ACYP17A1
SCHEMBL2585276 0.82 KDM4E (0.45) KDM4ETBXA2RCYP19A1KMT2ACYP17A1
SCHEMBL17484629 0.82 KDM4E (0.42) KDM4ETBXA2RCYP19A1KMT2ACYP17A1
SCHEMBL20518637 0.82 KDM4E (0.45) KDM4ETBXA2RCYP19A1KMT2ACYP17A1
Bromide SCHEMBL28354965 0.80 KDM4E (0.44) KDM4ETBXA2RCYP19A1KMT2ACYP17A1
Hydrochloric Acid SCHEMBL27966647 0.80 KDM4E (0.44) KDM4ETBXA2RCYP19A1KMT2ACYP17A1
SCHEMBL27673215 0.80 KDM4E (0.41) KDM4ETBXA2RCYP19A1KMT2ACYP17A1
SCHEMBL20518717 0.79 KDM4E (0.41) KDM4ETBXA2RCYP19A1KMT2ACYP17A1
SCHEMBL20518716 0.79 KDM4E (0.41) KDM4ETBXA2RCYP19A1KMT2ACYP17A1
SCHEMBL10576923 0.77 KMT2A (0.50) KDM4ETBXA2RCYP19A1KMT2ACYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9982095-B2 Substituted organopolysiloxanes and use thereof PHOSPHONICS LTD (GB) 2018-05-29 US disclosed
US-20090098082-A1 substiuted organopolysiloxanes and use thereof PHOSPHONICS LTD (GB) 2009-04-16 US disclosed
EP-1786850-B1 SUBSTITUTED ORGANOPOLYSILOXANES AND USE THEREOF PHOSPHONICS LTD (GB) 2008-11-26 EP disclosed
WO-2008099165-A1 PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2008-08-21 WO disclosed
EP-1786850-A1 SUBSTITUTED ORGANOPOLYSILOXANES AND USE THEREOF Phosphonics LTD (GB) 2007-05-23 EP disclosed
WO-2006013060-A1 SUBSTITUTED ORGANOPOLYSILOXANES AND USE THEREOF PHOSPHONICS LTD (GB) 2006-02-09 WO disclosed
CN-1037511-C Therapeutic agents BOOTS CO PLC (GB) 1998-02-25 CN disclosed
EP-0061624-B1 CATIONIC DYES AND THEIR USE BASF Aktiengesellschaft (DE) 1985-02-20 EP disclosed
EP-0061624-A1 Cationic dyes and their use BASF Aktiengesellschaft (DE) 1982-10-06 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-20090098082-A1 substiuted organopolysiloxanes and use thereof OR10J3, SOST, ITGB3 KDM4E 4077/4885TBXA2R 2644/4885CYP19A1 2779/4885

“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.