SCHEMBL20508341

SCHEMBL20508341

O=C(CCCc1ccc(Br)cc1)Nc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.69
HDAC8 Q9BY41 6/20 0.69
HDAC6 Q9UBN7 6/20 0.69
HDAC5 Q9UQL6 6/20 0.69
HDAC4 P56524 5/20 0.69
HDAC7 Q8WUI4 5/20 0.69
HDAC11 Q96DB2 5/20 0.69
HDAC9 Q9UKV0 5/20 0.69
HDAC3 O15379 5/20 0.69
HDAC2 Q92769 5/20 0.69
HDAC10 Q969S8 4/20 0.69
TRPV1 Q8NER1 1/20 0.66
KDM1A O60341 1/20 0.63
MAPT P10636 2/20 0.63
HTT P42858 1/20 0.63
NPC1 O15118 3/20 0.59
RAB9A P51151 2/20 0.59
ALDH1A1 P00352 1/20 0.59
ALOX15 P16050 1/20 0.59
NFKB1 P19838 1/20 0.59

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
SCHEMBL28553512 0.90 MAPT (0.77) HDAC1HDAC8HDAC6HDAC5HDAC4
SCHEMBL8012743 0.89 TRPV1 (0.81) HDAC1HDAC8HDAC6HDAC5HDAC4
SCHEMBL17064258 0.86 HDAC3 (0.59) HDAC1HDAC8HDAC6HDAC5HDAC4
SCHEMBL20508340 0.86 TRPV1 (0.73) HDAC1HDAC8HDAC6HDAC5HDAC4
SCHEMBL6961827 0.84 KDM1A (0.68) HDAC1HDAC8HDAC6HDAC5HDAC4
SCHEMBL17986848 0.84 PLAAT3 (0.51) HDAC1HDAC8HDAC6HDAC5HDAC4
SCHEMBL6517887 0.84 MAPT (0.77) HDAC1HDAC8HDAC6HDAC5HDAC4
SCHEMBL13581272 0.84 NPC1 (0.71) HDAC1HDAC8HDAC6HDAC5HDAC4
SCHEMBL18422082 0.83 TRPV1 (0.73) HDAC1HDAC8HDAC6HDAC5HDAC4
Hydrochloric Acid SCHEMBL8392010 0.83 KDM1A (0.66) HDAC1HDAC8HDAC6HDAC5HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119192065-A Anticancer compounds 悉尼大学 2024-12-27 CN disclosed
EP-3250551-B1 ANTI-CANCER COMPOUNDS UNIV SYDNEY (AU) 2022-11-09 EP disclosed
US-10745355-B2 Anti-cancer compounds THE UNIVERSITY OF SYDNEY (AU) 2020-08-18 US disclosed
US-10745355-B2 Anti-cancer compounds THE UNIVERSITY OF SYDNEY (AU) 2020-08-18 US disclosed
US-20180273478-A1 ANTI-CANCER COMPOUNDS THE UNIVERSITY OF SYDNEY (AU) 2018-09-27 US disclosed
CN-107207437-A Anticancer compounds 悉尼大学 2017-09-26 CN 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 (2 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-20180273478-A1 ANTI-CANCER COMPOUNDS MKI67, TP53, CDK5 HDAC1 88/4885HDAC8 133/4885HDAC6 53/4885
US-10745355-B2 Anti-cancer compounds MKI67, TP53, CDK5 HDAC1 88/4885HDAC8 133/4885HDAC6 53/4885

“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.