SCHEMBL9965533

SCHEMBL9965533

O=Nc1ccc(OC(=O)Nc2ccccc2N2CCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.53
KMT2A Q03164 4/20 0.53
NPSR1 Q6W5P4 4/20 0.50
KCNQ2 O43526 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
MAPT P10636 3/20 0.50
MAPK1 P28482 2/20 0.50
TSHR P16473 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
LMNA P02545 1/20 0.50
PKM P14618 1/20 0.48
GFER P55789 1/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL30752017 0.81 ALDH1A1 (0.71) GAAKMT2ANPSR1L3MBTL1MAPT
SCHEMBL1439589 0.81 ALDH1A1 (0.71) GAAKMT2ANPSR1L3MBTL1MAPT
SCHEMBL13763656 0.76 NPSR1 (0.65) GAAKMT2ANPSR1KCNQ2L3MBTL1
SCHEMBL28236257 0.72 ALDH1A1 (0.66) GAAKMT2AMAPTTSHRCYP1A2
SCHEMBL1439619 0.72 GAA (0.63) GAAKMT2ANPSR1KCNQ2L3MBTL1
SCHEMBL4318899 0.72 KCNQ2 (0.68) GAAKMT2ANPSR1KCNQ2L3MBTL1
SCHEMBL9051602 0.71 NPSR1 (0.63) GAAKMT2ANPSR1KCNQ2L3MBTL1
SCHEMBL13757457 0.71 GAA (0.61) GAAKMT2ANPSR1KCNQ2L3MBTL1
SCHEMBL10144751 0.70 L3MBTL1 (0.66) GAAKMT2ANPSR1KCNQ2L3MBTL1
SCHEMBL6942726 0.70 ALDH1A1 (0.49) GAAKMT2ANPSR1MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157443-A1 BRUTON'S TYROSINE KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2012-06-21 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-20120157443-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK GAA 1670/4885KMT2A 1481/4885NPSR1 4436/4885

“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.