SCHEMBL20508328

SCHEMBL20508328

O=C(CCCc1ccc(-c2cccnc2F)cc1)Nc1ccc(O)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.72
MAPT P10636 2/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
MEN1 O00255 2/20 0.72
KMT2A Q03164 2/20 0.72
CYP3A4 P08684 1/20 0.72
TSHR P16473 1/20 0.72
MAPKAPK2 P49137 1/20 0.72
TRPV1 Q8NER1 5/20 0.58
HDAC3 O15379 3/20 0.46
HDAC4 P56524 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC7 Q8WUI4 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC10 Q969S8 3/20 0.46
HDAC11 Q96DB2 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC9 Q9UKV0 3/20 0.46
HDAC5 Q9UQL6 3/20 0.46

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
SCHEMBL31315992 1.00 ALDH1A1 (0.72) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL31315991 0.91 ALDH1A1 (0.61) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL20508304 0.91 ALDH1A1 (0.61) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL17986755 0.88 MEN1 (0.55) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL169905 0.84 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL29729259 0.84 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL20508342 0.83 ALDH1A1 (0.67) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL31315989 0.83 ALDH1A1 (0.67) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL20508356 0.78 TRPV1 (0.67) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL31315988 0.78 ALDH1A1 (0.63) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A

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
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

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 ALDH1A1 1509/4885MAPT 342/4885SMN1; SMN2 1105/4885
US-10745355-B2 Anti-cancer compounds MKI67, TP53, CDK5 ALDH1A1 1509/4885MAPT 342/4885SMN1; SMN2 1105/4885

“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.