SCHEMBL15768793

SCHEMBL15768793

O=c1cc(OCc2ccc(C(F)(F)F)nn2)cc[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.49
ABL1 P00519 1/20 0.49
PPARG P37231 1/20 0.49
RIN1 Q13671 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
HDAC6 Q9UBN7 1/20 0.36
SCN8A Q9UQD0 4/20 0.36
SCN10A Q9Y5Y9 4/20 0.36
MRGPRX4 Q96LA9 1/20 0.34
SOD1 P00441 1/20 0.33
CA12 O43570 2/20 0.32
CA9 Q16790 2/20 0.32
MAOB P27338 2/20 0.32
MAOA P21397 1/20 0.32
CA2 P00918 1/20 0.32
PDE10A Q9Y233 3/20 0.31
CA1 P00915 1/20 0.31
P2RX3 P56373 1/20 0.31
P2RX2 Q9UBL9 1/20 0.31

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
SCHEMBL15769394 0.81 NSD2 (0.51) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL15781393 0.80 NSD2 (0.52) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL4047944 0.79 NSD2 (0.49) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL137964 0.79 NSD2 (0.56) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL94421 0.74 NSD2 (0.52) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL15769421 0.73 GRM5 (0.41) PPARGHDAC6MRGPRX4
SCHEMBL3477099 0.72 NSD2 (0.66) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL94424 0.71 NSD2 (0.52) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL1366971 0.71 NSD2 (0.52) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL12950126 0.71 NSD2 (0.52) NSD2ABL1PPARGRIN1L3MBTL1

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-20140163012-A1 PYRIDO-/AZEPINO-BENZOFURAN AND PYRIDO-/AZEPINO-BENZOTHIOPHENE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2014-06-12 US disclosed
US-20140163012-A1 PYRIDO-/AZEPINO-BENZOFURAN AND PYRIDO-/AZEPINO-BENZOTHIOPHENE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2014-06-12 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-20140163012-A1 PYRIDO-/AZEPINO-BENZOFURAN AND PYRIDO-/AZEPINO-BENZOTHIOPHENE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF MCHR1, MCHR2, TAAR1 NSD2 3723/4885ABL1 4377/4885PPARG 1691/4885

“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.