SCHEMBL1003252

SCHEMBL1003252

O=c1cc(OCc2ncccc2F)cc[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.55
ABL1 P00519 1/20 0.55
PPARG P37231 1/20 0.55
RIN1 Q13671 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
NCOR2 Q9Y618 1/20 0.55
PARP15 Q460N3 1/20 0.39
PARP10 Q53GL7 1/20 0.39
GPR84 Q9NQS5 2/20 0.38
PDE4A P27815 1/20 0.36
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
IP6K1 Q92551 1/20 0.33
PDE10A Q9Y233 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
ALDH2 P05091 1/20 0.33
PIK3CA P42336 1/20 0.32
KMT2A Q03164 1/20 0.32
DAO P14920 1/20 0.32

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
SCHEMBL27772194 0.83 NSD2 (0.55) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL94547 0.81 NSD2 (0.51) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL3475457 0.79 NSD2 (0.64) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL4539829 0.78 NSD2 (0.63) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL153303 0.75 NSD2 (0.63) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL4232057 0.73 NSD2 (0.68) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL14151016 0.72 NSD2 (0.63) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL6683297 0.72 NSD2 (0.55) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL1003510 0.72 NSD2 (0.71) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL94520 0.71 NSD2 (0.54) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637501-B2 Azinone-substituted azepino[b]indole and pyrido-pyrrolo-azepine MCH-1 antagonists, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2014-01-28 US disclosed
EP-2448585-B1 AZINONE-SUBSTITUTED AZEPINO[B]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RES INC (US) 2014-01-01 EP disclosed
US-20110003793-A1 AZINONE-SUBSTITUTED AZEPINO[b]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-06 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-20110003793-A1 AZINONE-SUBSTITUTED AZEPINO[b]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF MCHR1, MCHR2, HTR1E NSD2 3058/4885ABL1 3651/4885PPARG 2453/4885

“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.