SCHEMBL1151213

SCHEMBL1151213

N#CN=C(NCCF)Oc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.34
IDO1 P14902 1/20 0.31
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
ZDHHC2 Q9UIJ5 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL1151212 1.00 KMT2A (0.40) KMT2APOLBIDO1MTNR1AMTNR1B
SCHEMBL24654022 0.85 KMT2A (0.38) KMT2APOLBZDHHC2HSD17B10
SCHEMBL13617146 0.85 MAPT (0.40) KMT2APOLBIDO1ZDHHC2
SCHEMBL13066415 0.81 KMT2A (0.41) KMT2APOLBIDO1MTNR1AMTNR1B
SCHEMBL21597555 0.81 KMT2A (0.41) KMT2APOLBIDO1MTNR1AMTNR1B
SCHEMBL21597554 0.81 KMT2A (0.41) KMT2APOLBIDO1MTNR1AMTNR1B
SCHEMBL14996220 0.81 ZDHHC2 (0.50) ZDHHC2
SCHEMBL3421932 0.81 ZDHHC2 (0.50) ZDHHC2
SCHEMBL13593769 0.81 KMT2A (0.39) KMT2APOLBIDO1
SCHEMBL13630803 0.80 ZDHHC2 (0.52) ZDHHC2

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
US-7884244-B2 Therapeutic fluoroethylcyano guanidines ALLERGAN, INC. (US) 2011-02-08 US disclosed
US-7884244-B2 Therapeutic fluoroethylcyano guanidines ALLERGAN, INC. (US) 2011-02-08 US disclosed
US-20080255230-A1 THERAPEUTIC FLUOROETHYLCYANO GUANIDINES ALLERGAN, INC. 2008-10-16 US disclosed
US-20080255230-A1 THERAPEUTIC FLUOROETHYLCYANO GUANIDINES ALLERGAN, INC. 2008-10-16 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-20080255230-A1 THERAPEUTIC FLUOROETHYLCYANO GUANIDINES PDE3A, PDE2A, PDE3B KMT2A 2005/4885POLB 2957/4885IDO1 2321/4885

“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.