SCHEMBL29136067

SCHEMBL29136067

O=c1[nH]c(CCO)nc2cc(Br)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
RECQL P46063 1/20 0.47
PARP1 P09874 5/20 0.47
PARP2 Q9UGN5 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PDE10A Q9Y233 1/20 0.44
CHEK1 O14757 1/20 0.44
KDM4C Q9H3R0 1/20 0.43
HTT P42858 1/20 0.42
PARP3 Q9Y6F1 3/20 0.41
TNKS2 Q9H2K2 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL16261141 0.83 PARP1 (0.66) KDM4ERECQLPARP1PARP2NPC1
SCHEMBL6923005 0.83 PARP1 (0.48) KDM4ERECQLPARP1PARP2NPC1
SCHEMBL28279924 0.82 TNKS2 (0.62) KDM4ERECQLPARP1NPC1RAB9A
SCHEMBL4973391 0.82 KDM4E (0.63) KDM4ERECQLNPC1RAB9APDE10A
SCHEMBL30186046 0.82 KDM4E (0.63) KDM4ERECQLNPC1RAB9APDE10A
SCHEMBL19846637 0.82 PARP1 (0.60) PARP1NPC1RAB9AKDM4CTNKS2
SCHEMBL6920370 0.82 NPC1 (0.46) KDM4ERECQLPARP1PARP2NPC1
SCHEMBL6922750 0.80 PARP1 (0.48) KDM4ERECQLPARP1PARP2NPC1
SCHEMBL27845965 0.80 RAB9A (0.44) KDM4ERECQLPARP1PARP2NPC1
SCHEMBL30721110 0.78 PARP1 (0.72) KDM4ERECQLPARP1PARP2NPC1

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 4 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
EP-4274825-A1 SELECTIVE INHIBITORS OF ROCK1 AND ROCK2 PROTEIN KINASES AND USES THEREOF Genosco Inc. (US) 2023-11-15 EP disclosed
WO-2022150381-A1 SELECTIVE INHIBITORS OF ROCK1 AND ROCK2 PROTEIN KINASES AND USES THEREOF Genosco Inc. (US) 2022-07-14 WO 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 KDM4E 1545/4885RECQL 1510/4885PARP1 1532/4885

“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.