SCHEMBL29136044

SCHEMBL29136044

O=c1c2ccc(Br)cc2ccn1Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PAX8 Q06710 2/20 0.46
CFTR P13569 1/20 0.45
LMNA P02545 2/20 0.45
NOX4 Q9NPH5 1/20 0.45
PIK3R1 P27986 1/20 0.45
PIK3CA P42336 1/20 0.45
MAPT P10636 2/20 0.45
RECQL P46063 1/20 0.43
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42

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
SCHEMBL2120980 0.81 MAPK14 (0.48) KMT2AMEN1ALDH1A1ROCK2ROCK1
SCHEMBL29779010 0.81 PLAU (0.47) KMT2APOLBMAPTHPGDROCK2
SCHEMBL29136066 0.81 PLAU (0.47) KMT2APOLBMAPTHPGDROCK2
SCHEMBL29136037 0.80 ROCK2 (0.62) KMT2AMEN1POLBKDM4ELMNA
SCHEMBL29136019 0.78 KMT2A (0.45) KMT2APOLBALDH1A1HTTROCK2
SCHEMBL30656512 0.78 KMT2A (0.45) KMT2APOLBALDH1A1HTTROCK2
SCHEMBL18764602 0.75 ALDH1A1 (0.56) KMT2AMEN1POLBALDH1A1SMN1; SMN2
SCHEMBL19896366 0.75 NOX4 (0.56) KMT2AMEN1POLBALDH1A1SMN1; SMN2
SCHEMBL28061819 0.75 HDAC3 (0.47) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL29778946 0.74 YTHDC1 (0.45) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E

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 KMT2A 1923/4885MEN1 1287/4885POLB 3092/4885

“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.