SCHEMBL5945697

SCHEMBL5945697

CC(=O)NCc1ccc(N)cc1.NC(=O)CCc1ccc(N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
HDAC1 Q13547 3/20 0.47
HDAC6 Q9UBN7 2/20 0.47
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
PRMT1 Q99873 1/20 0.46
EPHX2 P34913 1/20 0.46
LMNA P02545 1/20 0.46
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
PPIB P23284 1/20 0.43
PPIA P62937 1/20 0.43
PPID Q08752 1/20 0.43
PPIG Q13427 1/20 0.43
KIF11 P52732 1/20 0.43
KDM4E B2RXH2 1/20 0.42
F13A1 P00488 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
SCHEMBL1800569 0.87 KMT2A (0.63) KMT2AHDAC1HDAC6ALDH1A1POLB
Hydrochloric Acid SCHEMBL10744056 0.85 KMT2A (0.61) KMT2AHDAC1HDAC6ALDH1A1POLB
SCHEMBL987884 0.83 GFER (0.56) ALDH1A1PRMT1LMNA
SCHEMBL24541407 0.80 KMT2A (0.59) KMT2AHDAC1HDAC6ALDH1A1POLB
SCHEMBL1916981 0.78 KMT2A (0.62) KMT2AHDAC1HDAC6ALDH1A1POLB
SCHEMBL8245710 0.77 CYP2C9 (0.68) KMT2APOLBEPHX2CYP2C9CYP2C19
SCHEMBL12133623 0.77 KMT2A (0.76) KMT2AHDAC1HDAC6ALDH1A1POLB
SCHEMBL11522676 0.76 KMT2A (0.59) KMT2AHDAC1HDAC6ALDH1A1POLB
SCHEMBL2715966 0.76 KDM4E (0.70) HDAC1HDAC6ALDH1A1MAPTLMNA
SCHEMBL8143941 0.76 CA1 (0.59) HDAC1HDAC6ALDH1A1POLBPRMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060135589-A1 1h-Indazole-3-carboxamide compounds as cyclin dependent kinase (cdk) inhibitors ASTEX TECHNOLOGY, INC. (GB) 2006-06-22 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 (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-20060135589-A1 1h-Indazole-3-carboxamide compounds as cyclin dependent kinase (cdk) inhibitors CCNC, CDK1, CDK7 KMT2A 1773/4885HDAC1 318/4885HDAC6 2136/4885

“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.