SCHEMBL5486093

SCHEMBL5486093

COc1cc(N)c(-c2cccc(C=O)c2Br)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.45
ERN1 O75460 7/20 0.43
TLR2 O60603 1/20 0.43
TLR1 Q15399 1/20 0.43
TLR6 Q9Y2C9 1/20 0.43
ALDH1A1 P00352 5/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NSD2 O96028 1/20 0.40
CASP6 P55212 1/20 0.40
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SRC P12931 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36

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
SCHEMBL5492569 0.85 ALDH1A1 (0.46) PRKDCERN1TLR2TLR1TLR6
SCHEMBL5489380 0.82 PRKDC (0.47) PRKDCERN1TLR2TLR1TLR6
SCHEMBL5490878 0.78 PRKDC (0.46) PRKDCERN1ALDH1A1TSHRKDM4E
SCHEMBL5489910 0.77 KDM4E (0.42) ERN1ALDH1A1TSHRKDM4ETDP1
SCHEMBL137836 0.74 ERN1 (0.61) PRKDCERN1TLR2TLR1TLR6
Hydrochloric Acid SCHEMBL21121045 0.73 ERN1 (0.59) PRKDCERN1TLR2TLR1TLR6
SCHEMBL1571567 0.72 PRKDC (0.56) PRKDCERN1ALDH1A1TSHRKDM4E
SCHEMBL1570740 0.70 ALDH1A1 (0.72) PRKDCERN1TLR2TLR1TLR6
SCHEMBL31469616 0.70 ALDH1A1 (0.72) PRKDCERN1TLR2TLR1TLR6
SCHEMBL27753912 0.70 ALDH1A1 (0.72) PRKDCERN1TLR2TLR1TLR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7250410-B2 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof VIA PHARMACEUTICALS, INC. (US) 2007-07-31 US disclosed
US-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof BAY CITY CAPITAL LLC 2004-08-05 US disclosed
EP-1392663-A2 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS, PREPARATION AND USES THEREOF NEURO3D (FR) 2004-03-03 EP disclosed
WO-2002098865-A2 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS, PREPARATION AND USES THEREOF NEURO3D (FR) 2002-12-12 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-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof PDE7A, PDE3B, PDE3A PRKDC 1265/4885ERN1 1904/4885TLR2 4240/4885

“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.