SCHEMBL21045541

SCHEMBL21045541

Cc1cc(C(=O)NCCCc2ccc(-c3ccc4[nH]ncc4c3C)cc2)n(C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 3/20 0.40
ROCK2 O75116 2/20 0.37
ROCK1 Q13464 2/20 0.37
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
PPARG P37231 1/20 0.36
METAP2 P50579 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL21045216 0.84 ROCK2 (0.47) ROCK2ROCK1HDAC3HDAC4HDAC1
SCHEMBL29411391 0.84 ROCK2 (0.47) ROCK2ROCK1HDAC3HDAC4HDAC1
SCHEMBL21045478 0.81 LMNA (0.39) PDK1ROCK2ROCK1PPARGMETAP2
SCHEMBL21045266 0.81 KDM4E (0.49) PDK1PPARGMETAP2WNT1DYRK1A
SCHEMBL21045169 0.80 LMNA (0.49) PDK1ROCK2ROCK1METAP2L3MBTL1
SCHEMBL21045189 0.79 PIK3C3 (0.40) ROCK2ROCK1HDAC3HDAC4HDAC1
SCHEMBL21045128 0.78 NPC1 (0.39) PDK1ROCK2ROCK1HDAC3HDAC4
SCHEMBL21045413 0.78 PDK1 (0.43) PDK1ROCK2ROCK1PPARGMEN1
SCHEMBL21045085 0.78 HDAC3 (0.38) ROCK2ROCK1HDAC3HDAC4HDAC1
SCHEMBL21045124 0.76 MAPT (0.47) HDAC3HDAC4HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250188035-A1 TUBULIN INHIBITORS LIN BIOSCIENCE LLC (US) 2025-06-12 US disclosed
US-12247010-B2 Tubulin inhibitors LIN BIOSCIENCE INC. (TW) 2025-03-11 US disclosed
US-20220089539-A1 TUBULIN INHIBITORS LIN BIOSCIENCE INC. (TW) 2022-03-24 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
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 (5 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 PDK1 2961/4885ROCK2 344/4885ROCK1 277/4885
US-12247010-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB PDK1 2961/4885ROCK2 344/4885ROCK1 277/4885
US-11040945-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB PDK1 2961/4885ROCK2 344/4885ROCK1 277/4885
US-20250188035-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB PDK1 2961/4885ROCK2 344/4885ROCK1 277/4885
US-20190169127-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB PDK1 2961/4885ROCK2 344/4885ROCK1 277/4885

“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.