SCHEMBL2615541

SCHEMBL2615541

NC(=O)N1c2ccccc2CC(=O)c2cc(F)ccc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.72
KMT2A Q03164 3/20 0.72
ALDH1A1 P00352 2/20 0.72
KDM4E B2RXH2 1/20 0.72
CYP3A4 P08684 1/20 0.72
MAPT P10636 1/20 0.72
PABPC1 P11940 1/20 0.72
BLM P54132 1/20 0.72
NOTUM Q6P988 1/20 0.41
GAA P10253 3/20 0.40
CASP6 P55212 1/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
SCN4A P35499 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
AMPD2 Q01433 2/20 0.37

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
Oxcarbazepine SCHEMBL29359799 0.84 KDM4E (1.00) MEN1KMT2AALDH1A1KDM4ECYP3A4
Oxcarbazepine SCHEMBL4655725 0.84 KDM4E (1.00) MEN1KMT2AALDH1A1KDM4ECYP3A4
Oxcarbazepine SCHEMBL35129 0.84 KDM4E (1.00) MEN1KMT2AALDH1A1KDM4ECYP3A4
Oxcarbazepine SCHEMBL29433241 0.84 KDM4E (1.00) MEN1KMT2AALDH1A1KDM4ECYP3A4
SCHEMBL2615249 0.84 MEN1 (0.72) MEN1KMT2AALDH1A1KDM4ECYP3A4
Oxcarbazepine SCHEMBL17372732 0.83 KDM4E (0.97) MEN1KMT2AALDH1A1KDM4ECYP3A4
Oxcarbazepine SCHEMBL27944289 0.83 KDM4E (0.97) MEN1KMT2AALDH1A1KDM4ECYP3A4
Oxcarbazepine SCHEMBL2885435 0.80 KDM4E (0.89) MEN1KMT2AALDH1A1KDM4ECYP3A4
Oxcarbazepine SCHEMBL29123953 0.80 ALDH1A1 (0.89) MEN1KMT2AALDH1A1KDM4ECYP3A4
Oxcarbazepine SCHEMBL5652834 0.80 KDM4E (0.89) MEN1KMT2AALDH1A1KDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2012-04-19 US disclosed
US-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2012-04-19 US disclosed
WO-2010081036-A2 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-07-15 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 (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-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF FLI1, CDC73, FOS MEN1 81/4885KMT2A 1417/4885ALDH1A1 2452/4885

“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.