SCHEMBL29136038

SCHEMBL29136038

CNC(=O)c1cccc(Cn2ccc3cc(Br)ccc3c2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.45
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BRD4 O60885 6/20 0.43
BRD2 P25440 3/20 0.43
BRD3 Q15059 3/20 0.43
BRDT Q58F21 3/20 0.43
EGLN1 Q9GZT9 1/20 0.43

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
SCHEMBL29778946 1.00 YTHDC1 (0.45) YTHDC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL29136019 0.86 KMT2A (0.45) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL30656512 0.86 KMT2A (0.45) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL30656517 0.84 EGLN1 (0.53) YTHDC1KDM4EALDH1A1SMN1; SMN2BRD4
SCHEMBL29136068 0.84 EGLN1 (0.53) YTHDC1KDM4EALDH1A1SMN1; SMN2BRD4
SCHEMBL24616951 0.83 ROCK2 (0.47) YTHDC1KDM4EALDH1A1SMN1; SMN2BRD4
SCHEMBL24617539 0.81 ROCK2 (0.51) YTHDC1KDM4EALDH1A1SMN1; SMN2BRD4
SCHEMBL24616910 0.81 HSP90AB1 (0.57) YTHDC1HDAC2KDM4EALDH1A1SMN1; SMN2
SCHEMBL24616900 0.81 ROCK2 (0.46) YTHDC1KDM4EALDH1A1SMN1; SMN2BRD4
SCHEMBL24617509 0.81 YTHDC1 (0.50) YTHDC1HDAC8HDAC6HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240374582-A1 SELECTIVE INHIBITORS OF ROCK1 AND ROCK2 PROTEIN KINASES AND THEIR USES THEREOF Genosco Inc. 2024-11-14 US disclosed
CN-117136186-A Selective inhibitors of ROCK1 and ROCK2 protein kinases and uses thereof 盖诺斯克公司 2023-11-28 CN 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 (1 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-20240374582-A1 SELECTIVE INHIBITORS OF ROCK1 AND ROCK2 PROTEIN KINASES AND THEIR USES THEREOF ROCK2, ROCK1, MYLK3 YTHDC1 2530/4885HDAC8 1786/4885HDAC6 1140/4885

“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.