SCHEMBL21045170

SCHEMBL21045170

O=C(CCCc1ccc(-c2ccccc2F)cc1)Nc1cccnc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
ALDH1A1 P00352 1/20 0.69
CYP3A4 P08684 1/20 0.69
MAPT P10636 1/20 0.69
TSHR P16473 1/20 0.69
MAPKAPK2 P49137 1/20 0.69
HDAC3 O15379 2/20 0.53
HDAC4 P56524 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53
TRPV1 Q8NER1 2/20 0.53

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
SCHEMBL29411617 1.00 MEN1 (0.69) MEN1KMT2ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL29411394 0.91 KMT2A (0.57) MEN1KMT2ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL21045155 0.91 KMT2A (0.57) MEN1KMT2ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL21045264 0.89 SMN1; SMN2 (0.71) MEN1KMT2ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL29411562 0.89 SMN1; SMN2 (0.71) MEN1KMT2ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL21045344 0.88 MEN1 (0.53) MEN1KMT2ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL29411441 0.88 MEN1 (0.53) MEN1KMT2ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL21045092 0.88 HDAC3 (0.54) MEN1KMT2ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL30920079 0.87 TSHR (0.77) MEN1KMT2ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL21227017 0.87 TSHR (0.77) MEN1KMT2ASMN1; SMN2ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240182419-A1 ANTI-CANCER COMPOUNDS THE UNIVERSITY OF SYDNEY (AU) 2024-06-06 US disclosed
US-11939296-B2 Anti-cancer compounds THE UNIVERSITY OF SYDNEY (AU) 2024-03-26 US disclosed
US-20230028660-A1 ANTI-CANCER COMPOUNDS THE UNIVERSITY OF SYDNEY (AU) 2023-01-26 US disclosed
US-20230028660-A1 ANTI-CANCER COMPOUNDS THE UNIVERSITY OF SYDNEY (AU) 2023-01-26 US disclosed
US-11472774-B2 Anti-cancer compounds THE UNIVERSITY OF SYDNEY (AU) 2022-10-18 US disclosed
US-20220089539-A1 TUBULIN INHIBITORS LIN BIOSCIENCE INC. (TW) 2022-03-24 US disclosed
US-11040945-B2 Tubulin inhibitors LIN BIOSCIENCE PTY LTD. 2021-06-22 US disclosed
US-11040945-B2 Tubulin inhibitors LIN BIOSCIENCE PTY LTD. 2021-06-22 US disclosed
US-20210094915-A1 ANTI-CANCER COMPOUNDS THE UNIVERSITY OF SYDNEY (AU) 2021-04-01 US disclosed
US-20210094915-A1 ANTI-CANCER COMPOUNDS THE UNIVERSITY OF SYDNEY (AU) 2021-04-01 US disclosed
EP-3746422-A1 ANTI-CANCER COMPOUNDS The University Of Sydney (AU) 2020-12-09 EP disclosed
WO-2019148244-A1 ANTI-CANCER COMPOUNDS THE UNIVERSITY OF SYDNEY (AU) 2019-08-08 WO disclosed
WO-2019148244-A1 ANTI-CANCER COMPOUNDS THE UNIVERSITY OF SYDNEY (AU) 2019-08-08 WO disclosed
WO-2019113242-A1 TUBULIN INHIBITORS Lin BioScience, LLC (US) 2019-06-13 WO disclosed
US-20190169127-A1 TUBULIN INHIBITORS LIN BIOSCIENCE INC. (TW) 2019-06-06 US disclosed
US-20190169127-A1 TUBULIN INHIBITORS LIN BIOSCIENCE INC. (TW) 2019-06-06 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 (8 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-11472774-B2 Anti-cancer compounds MKI67, CDKN1A, TP53 MEN1 244/4885KMT2A 975/4885SMN1; SMN2 530/4885
US-11939296-B2 Anti-cancer compounds MKI67, TP53, CDK5 MEN1 467/4885KMT2A 1315/4885SMN1; SMN2 1105/4885
US-20220089539-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB MEN1 955/4885KMT2A 2339/4885SMN1; SMN2 1062/4885
US-20230028660-A1 ANTI-CANCER COMPOUNDS MKI67, TP53, CDK5 MEN1 467/4885KMT2A 1315/4885SMN1; SMN2 1105/4885
US-11040945-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB MEN1 955/4885KMT2A 2339/4885SMN1; SMN2 1062/4885
US-20240182419-A1 ANTI-CANCER COMPOUNDS MKI67, TP53, CDK5 MEN1 467/4885KMT2A 1315/4885SMN1; SMN2 1105/4885
US-20190169127-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB MEN1 955/4885KMT2A 2339/4885SMN1; SMN2 1062/4885
US-20210094915-A1 ANTI-CANCER COMPOUNDS MKI67, TP53, CDK5 MEN1 467/4885KMT2A 1315/4885SMN1; 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.