SCHEMBL29411424

SCHEMBL29411424

Cc1cc(C(=O)NCCCc2ccc(-c3ccc4[nH]ccc4c3)cc2)n(C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD5 P21918 1/20 0.47
NAMPT P43490 2/20 0.42
HDAC1 Q13547 4/20 0.41
HDAC8 Q9BY41 3/20 0.41
CYP17A1 P05093 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
HDAC2 Q92769 4/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
ENPP2 Q13822 1/20 0.39
PTGS2 P35354 1/20 0.39
EPHX1 P07099 2/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL21045404 1.00 DRD5 (0.47) DRD5NAMPTHDAC1HDAC8CYP17A1
SCHEMBL21045239 0.87 POLB (0.39) HDAC1HDAC8HDAC2HDAC3HDAC4
SCHEMBL21045205 0.87 FLT3 (0.51)
SCHEMBL29411391 0.86 ROCK2 (0.47) HDAC1HDAC8HDAC2HDAC3HDAC4
SCHEMBL21045216 0.86 ROCK2 (0.47) HDAC1HDAC8HDAC2HDAC3HDAC4
SCHEMBL21100334 0.85 DRD5 (0.39) DRD5NAMPTHDAC1HDAC8HDAC2
SCHEMBL21045409 0.82 CACNA1H (0.43) HDAC1HDAC8HDAC2HDAC3HDAC4
SCHEMBL21045189 0.80 PIK3C3 (0.40) NAMPTHDAC1HDAC8HDAC2HDAC3
SCHEMBL21045362 0.80 DYRK1A (0.45) HDAC1HDAC6WNT1GSK3BDYRK1A
SCHEMBL21045426 0.80 KDM4E (0.51) DRD5NAMPTHDAC1HDAC8HDAC2

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 3 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

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 DRD5 4164/4885NAMPT 778/4885HDAC1 197/4885
US-12247010-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB DRD5 4164/4885NAMPT 778/4885HDAC1 197/4885
US-20250188035-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB DRD5 4164/4885NAMPT 778/4885HDAC1 197/4885

“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.