SCHEMBL20508340

SCHEMBL20508340

O=C(CCCc1ccc(Br)cc1)Nc1ccc(O)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.73
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
MAPT P10636 3/20 0.61
ALDH1A1 P00352 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
CYP3A4 P08684 1/20 0.61
TSHR P16473 1/20 0.61
MAPKAPK2 P49137 1/20 0.61
HDAC3 O15379 3/20 0.59
HDAC4 P56524 3/20 0.59
HDAC1 Q13547 3/20 0.59
HDAC7 Q8WUI4 3/20 0.59
HDAC2 Q92769 3/20 0.59
HDAC10 Q969S8 3/20 0.59
HDAC11 Q96DB2 3/20 0.59
HDAC8 Q9BY41 3/20 0.59
HDAC6 Q9UBN7 3/20 0.59
HDAC9 Q9UKV0 3/20 0.59
HDAC5 Q9UQL6 3/20 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
SCHEMBL17064258 0.88 HDAC3 (0.59) TRPV1MEN1KMT2AMAPTALDH1A1
SCHEMBL20508341 0.86 HDAC1 (0.69) TRPV1MAPTALDH1A1SMN1; SMN2CYP3A4
SCHEMBL17986695 0.86 AGER (0.53) TRPV1MEN1KMT2AMAPTALDH1A1
SCHEMBL21045474 0.81 TRPV1 (0.68) TRPV1MEN1KMT2AMAPTALDH1A1
SCHEMBL17962931 0.81 TRPV1 (0.68) TRPV1MEN1KMT2AMAPTALDH1A1
SCHEMBL21045398 0.81 TRPV1 (0.68) TRPV1MEN1KMT2AMAPTALDH1A1
SCHEMBL6926640 0.81 MEN1 (0.60) TRPV1MEN1KMT2AMAPTALDH1A1
SCHEMBL7201038 0.79 PSMB11 (0.71) TRPV1MEN1KMT2AMAPTALDH1A1
SCHEMBL21149882 0.79 HDAC1 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20508332 0.78 TRPV1 (0.63) TRPV1MEN1KMT2AMAPTALDH1A1

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 TRPV1 4309/4885MEN1 467/4885KMT2A 1315/4885
US-10745355-B2 Anti-cancer compounds MKI67, TP53, CDK5 TRPV1 4309/4885MEN1 467/4885KMT2A 1315/4885

“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.