SCHEMBL21045201

SCHEMBL21045201

O=C(CCCc1ccc(-c2cccc(C(F)(F)F)c2F)cc1)Nc1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
MAPKAPK2 P49137 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NOTUM Q6P988 1/20 0.48
TRPV1 Q8NER1 3/20 0.47
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47

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
SCHEMBL29411563 1.00 MEN1 (0.48) MEN1KMT2AALDH1A1CYP3A4MAPT
SCHEMBL29411587 0.91 NOTUM (0.53) MEN1KMT2AALDH1A1CYP3A4MAPT
SCHEMBL21045546 0.91 NOTUM (0.53) MEN1KMT2AALDH1A1CYP3A4MAPT
SCHEMBL21045155 0.88 KMT2A (0.57) MEN1KMT2AALDH1A1CYP3A4MAPT
SCHEMBL29411394 0.88 KMT2A (0.57) MEN1KMT2AALDH1A1CYP3A4MAPT
SCHEMBL21045496 0.86 KMT2A (0.52) MEN1KMT2AALDH1A1CYP3A4MAPT
SCHEMBL21045262 0.86 NOTUM (0.54) MEN1KMT2AALDH1A1CYP3A4MAPT
SCHEMBL29411547 0.86 NOTUM (0.54) MEN1KMT2AALDH1A1CYP3A4MAPT
SCHEMBL21045303 0.83 MEN1 (0.51) MEN1KMT2AALDH1A1CYP3A4MAPT
SCHEMBL21045143 0.83 MEN1 (0.48) MEN1KMT2AALDH1A1CYP3A4MAPT

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
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
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 (3 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-20220089539-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB MEN1 955/4885KMT2A 2339/4885ALDH1A1 3048/4885
US-11040945-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB MEN1 955/4885KMT2A 2339/4885ALDH1A1 3048/4885
US-20190169127-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB MEN1 955/4885KMT2A 2339/4885ALDH1A1 3048/4885

“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.