SCHEMBL12136759

SCHEMBL12136759

Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1Br

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.70
KCNK9 Q9NPC2 1/20 0.68
SMN1; SMN2 Q16637 6/20 0.67
TP53 P04637 4/20 0.67
MAPT P10636 4/20 0.67
THRB P10828 1/20 0.67
HDAC8 Q9BY41 3/20 0.61
HDAC6 Q9UBN7 3/20 0.61
HDAC3 O15379 2/20 0.61
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
RAB9A P51151 5/20 0.59
NPC1 O15118 3/20 0.59
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
LMNA P02545 2/20 0.56
ALDH1A1 P00352 2/20 0.56
NR1H4 Q96RI1 2/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56

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
SCHEMBL15122844 0.84 HDAC8 (0.66) KCNK3KCNK9SMN1; SMN2TP53MAPT
SCHEMBL30523366 0.83 MAPT (0.68) KCNK3KCNK9MAPTRAB9AMEN1
SCHEMBL3933740 0.83 MAPT (0.68) KCNK3KCNK9MAPTRAB9AMEN1
SCHEMBL7296707 0.82 KCNK9 (0.73) KCNK3KCNK9SMN1; SMN2TP53MAPT
SCHEMBL14043612 0.82 NPC1 (0.75) SMN1; SMN2TP53MAPTHDAC8HDAC6
SCHEMBL23092213 0.81 NPC1 (0.62) KCNK3KCNK9SMN1; SMN2HDAC8RAB9A
SCHEMBL7293743 0.80 KCNK3 (0.86) KCNK3KCNK9SMN1; SMN2TP53MAPT
SCHEMBL16137326 0.80 HDAC8 (0.70) KCNK3KCNK9SMN1; SMN2TP53MAPT
SCHEMBL13561213 0.80 KCNK9 (0.83) KCNK3KCNK9SMN1; SMN2TP53MAPT
SCHEMBL15238726 0.79 SMN1; SMN2 (0.59) KCNK3KCNK9SMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067608-B2 Hedgehog pathway antagonists THE JOHNS HOPKINS UNIVERSITY (US) 2011-11-29 US disclosed
US-20070232661-A1 Hedgehog Pathway Antagonists NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-10-04 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-20070232661-A1 Hedgehog Pathway Antagonists GLI1, SHH, SMO KCNK3 3208/4885KCNK9 3309/4885SMN1; SMN2 2484/4885

“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.