SCHEMBL3351046

SCHEMBL3351046

Cc1cc(C)cc(Nc2ncc(Br)c(O)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
IGF1R P08069 4/20 0.48
SYK P43405 6/20 0.48
NPC1 O15118 1/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SRC P12931 4/20 0.43
ZAP70 P43403 4/20 0.43
AURKA O14965 4/20 0.42
CDK2 P24941 2/20 0.42
GSK3B P49841 1/20 0.42
CHEK1 O14757 1/20 0.40
NTRK2 Q16620 1/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL3447672 0.90 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC6IGF1R
SCHEMBL3449847 0.87 IGF1R (0.53) HDAC3HDAC1HDAC2HDAC6IGF1R
SCHEMBL3450173 0.85 SYK (0.57) HDAC1IGF1RSYKNPC1RAB9A
SCHEMBL3374215 0.81 IGF1R (0.48) HDAC3HDAC1HDAC2HDAC6IGF1R
SCHEMBL3344762 0.80 IGF1R (0.57) HDAC3HDAC1HDAC2HDAC6IGF1R
SCHEMBL3344548 0.78 ULK1 (0.47) HDAC3HDAC1HDAC2HDAC6IGF1R
SCHEMBL13310459 0.77 IGF1R (0.68) HDAC6IGF1RSYKSRCAURKA
SCHEMBL13898607 0.75 SYK (0.76) HDAC6IGF1RSYKTSHRAURKA
SCHEMBL3448147 0.75 IGF1R (0.49) HDAC3HDAC1HDAC2HDAC6IGF1R
SCHEMBL3407907 0.74 IGF1R (0.47) IGF1RSYKRAB9AAURKACDK2

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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD HDAC3 1200/4885HDAC1 1109/4885HDAC2 1655/4885

“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.