SCHEMBL21045384

SCHEMBL21045384

Cc1cc(C(=O)NCCCc2cccc(-c3ccc(C(F)(F)F)nc3)c2)n(C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 2/20 0.41
PTAFR P25105 1/20 0.39
CTSL P07711 2/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
PLAAT3 P53816 1/20 0.38
PLAAT5 Q96KN8 1/20 0.38
PLAAT2 Q9NWW9 1/20 0.38
PLAAT4 Q9UL19 1/20 0.38
HIF1A Q16665 1/20 0.38
CTSV O60911 1/20 0.38

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
SCHEMBL29411522 1.00 CDK8 (0.41) CDK8PTAFRCTSLHDAC3HDAC4
SCHEMBL29411529 0.83 PTAFR (0.52) PTAFRCTSLCTSVCTSSCTSK
SCHEMBL21045208 0.83 PTAFR (0.52) PTAFRCTSLCTSVCTSSCTSK
SCHEMBL21045447 0.83 PTAFR (0.49) CDK8PTAFRNAMPT
SCHEMBL29411423 0.83 PTAFR (0.49) CDK8PTAFRNAMPT
SCHEMBL21045206 0.81 PTAFR (0.46) PTAFRCTSLCTSVCTSSCTSK
SCHEMBL29411369 0.81 PTAFR (0.46) PTAFRCTSLCTSVCTSSCTSK
SCHEMBL21045187 0.80 PTAFR (0.40) CDK8PTAFRCTSLHDAC3HDAC4
SCHEMBL29411479 0.80 PTAFR (0.40) CDK8PTAFRCTSLHDAC3HDAC4
SCHEMBL21045491 0.79 KDM4B (0.46) PTAFRCTSLCTSVCTSSCTSK

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 CDK8 407/4885PTAFR 2124/4885CTSL 2817/4885
US-11040945-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB CDK8 407/4885PTAFR 2124/4885CTSL 2817/4885
US-20190169127-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB CDK8 407/4885PTAFR 2124/4885CTSL 2817/4885

“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.