SCHEMBL6833263

SCHEMBL6833263

COc1ccc(-c2cnc(C(=O)Nc3ccc(Br)cc3C(=O)O)o2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.51
HDAC1 Q13547 4/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 2/20 0.47
AKR1C2 P52895 3/20 0.46
AKR1C1 Q04828 3/20 0.46
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44

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
SCHEMBL6834625 0.89 HDAC1 (0.53) HDAC6HDAC1MAPTAKR1C2AKR1C1
SCHEMBL6830685 0.87 TUBB4A (0.58) HDAC6HDAC1MEN1KMT2AMAPT
SCHEMBL6834025 0.86 HDAC1 (0.47) HDAC6HDAC1MEN1KMT2APOLB
SCHEMBL6833459 0.85 RXFP1 (0.48) HDAC6HDAC1MAPTTUBB4ATUBB
SCHEMBL6834004 0.84 TUBB4A (0.44) HDAC6HDAC1MEN1KMT2APOLB
SCHEMBL6830632 0.82 HDAC1 (0.51) HDAC6HDAC1MEN1KMT2APOLB
SCHEMBL6813769 0.81 MEN1 (0.74) MEN1KMT2APOLBMAPTTP53
SCHEMBL6833148 0.80 NPC1 (0.51) HDAC6MEN1KMT2APOLBMAPT
SCHEMBL6830399 0.78 AKR1C2 (0.47) MEN1KMT2APOLBMAPTAKR1C2
SCHEMBL6349859 0.78 MAPT (0.76) MEN1KMT2AMAPTAKR1C2AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 HDAC6 963/4885HDAC1 1902/4885MEN1 4132/4885

“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.