SCHEMBL1027654

SCHEMBL1027654

O=C1c2ccc(Br)cc2CN1CC(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 4/20 0.46
WDR77 Q9BQA1 4/20 0.46
PER2 O15055 1/20 0.43
CRY2 Q49AN0 1/20 0.43
SDCBP O00560 4/20 0.40
SDC2 P34741 4/20 0.40
BACE1 P56817 1/20 0.38
METAP1 P53582 1/20 0.37
TDP2 O95551 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
ADAM17 P78536 2/20 0.36
ABHD6 Q9BV23 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35

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
SCHEMBL1500223 0.85 PRMT5 (0.46) PRMT5WDR77PER2CRY2SDCBP
SCHEMBL15795942 0.82 PRMT5 (0.50) PRMT5WDR77PER2CRY2SDCBP
SCHEMBL1028252 0.82 PER2 (0.43) PER2CRY2METAP1PARP10PARP11
SCHEMBL27080051 0.81 PRMT5 (0.44) PRMT5WDR77PER2CRY2SDCBP
SCHEMBL29143992 0.80 PRMT5 (0.44) PRMT5WDR77SDCBPSDC2BACE1
SCHEMBL1029578 0.80 HSD17B3 (0.49) PRMT5WDR77SDCBPSDC2BACE1
SCHEMBL1500258 0.79 SDCBP (0.52) PRMT5WDR77SDCBPSDC2
SCHEMBL2117033 0.79 HDAC3 (0.53) PRMT5WDR77SDCBPSDC2BACE1
SCHEMBL3853977 0.78 MAPK1 (0.44) PRMT5WDR77ADAM17HDAC3HDAC4
SCHEMBL1500413 0.78 PRMT5 (0.41) PRMT5WDR77SDCBPSDC2BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 US disclosed
EP-2486925-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2012-08-15 EP disclosed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 US disclosed
US-20110160208-A1 DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-30 US disclosed
US-7902369-B2 Diaryl-substituted five-membered heterocycle derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 EP disclosed
US-20070173507-A1 Dairyl-substituted five-membered heterocycle derivative MSD K.K. (JP) 2007-07-26 US disclosed
EP-1726585-A1 DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-29 EP 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 (4 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-20110160208-A1 DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE OPRK1, GRM1, GRIK1 PRMT5 2310/4885WDR77 4566/4885PER2 2137/4885
US-20070173507-A1 Dairyl-substituted five-membered heterocycle derivative OPRK1, OPRL1, GRM1 PRMT5 2773/4885WDR77 4526/4885PER2 3564/4885
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION FABP7, TIMP3, MMP11 PRMT5 2771/4885WDR77 1300/4885PER2 3694/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 PRMT5 127/4885WDR77 500/4885PER2 2162/4885

“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.