SCHEMBL3368244

SCHEMBL3368244

OCCc1cc(F)c(F)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.33
USP28 Q96RU2 1/20 0.32
KDM1A O60341 2/20 0.31
KCNH2 Q12809 2/20 0.31
KDM1B Q8NB78 1/20 0.31
SNCA P37840 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL3366594 0.84 GPR84 (0.33)
SCHEMBL3365441 0.84 KDM1A (0.35) KDM1AKDM1B
SCHEMBL30076924 0.83 TDP1 (0.33) CA2HDAC1HDAC8
SCHEMBL29387214 0.81 KDM1A (0.32) USP28KDM1AKCNH2KDM1B
SCHEMBL707949 0.81 KDM1A (0.32) USP28KDM1AKCNH2KDM1B
SCHEMBL1239117 0.78 HDAC1 (0.40) CA2USP28HDAC1HDAC8
SCHEMBL30517174 0.78 HDAC1 (0.40) CA2USP28HDAC1HDAC8
SCHEMBL31394862 0.77 KDM1A (0.32) CA2KDM1AKCNH2KDM1BCYP1A2
SCHEMBL17006055 0.76 RAD52 (0.44) CA2NPSR1
SCHEMBL31152 0.76 GRIA1 (0.33) CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324235-B2 Heterocyclic spiro-compounds NOVARTIS AG (CH) 2012-12-04 US disclosed
EP-2134720-B1 HETEROCYCLIC SPIRO-COMPOUNDS NOVARTIS AG (CH) 2010-10-13 EP disclosed
US-20100144774-A1 HETEROCYCLIC SPIRO-COMPOUNDS NOVARTIS AG (CH) 2010-06-10 US disclosed
EP-2134720-A1 HETEROCYCLIC SPIRO-COMPOUNDS Novartis Ag (CH) 2009-12-23 EP disclosed
WO-2008119744-A1 HETEROCYCLIC SPIRO-COMPOUNDS NOVARTIS AG (CH) 2008-10-09 WO 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-20100144774-A1 HETEROCYCLIC SPIRO-COMPOUNDS REN, NR3C2, CYP21A2 CA2 1558/4885USP28 4748/4885KDM1A 3591/4885

“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.