SCHEMBL4093917

SCHEMBL4093917

CCOC(=O)C(C#N)c1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.45
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 4/20 0.41
NPSR1 Q6W5P4 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
KCNMA1 Q12791 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 3/20 0.40
BRAF P15056 1/20 0.39
PSMD14 O00487 1/20 0.39
BLM P54132 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL25296472 0.85 KMT2A (0.41) MEN1KMT2AMAPTTDP1SMN1; SMN2
SCHEMBL3124584 0.85 VCAM1 (0.45) VCAM1MEN1KMT2AMAPTTDP1
SCHEMBL2430950 0.84 MAPT (0.52) MEN1KMT2AMAPTTDP1SMN1; SMN2
SCHEMBL19371273 0.83 PKM (0.44) VCAM1MEN1KMT2AMAPTNPSR1
SCHEMBL3118623 0.82 KMT2A (0.49) VCAM1KMT2AMAPTNPSR1SMN1; SMN2
SCHEMBL8893024 0.82 HPD (0.46) MEN1KMT2AMAPTLMNAGAA
SCHEMBL7677183 0.82 ALDH1A1 (0.56) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL20596692 0.81 KMT2A (0.39) MEN1KMT2AMAPTTDP1SMN1; SMN2
SCHEMBL3830559 0.81 VCAM1 (0.50) VCAM1MAPTSMN1; SMN2LMNAKCNMA1
SCHEMBL6216122 0.81 PKM (0.49) VCAM1MEN1KMT2AMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029982-A1 PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2009-01-29 US disclosed
US-20080207632-A1 PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2008-08-28 US disclosed
WO-2008055233-A1 PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2008-05-08 WO disclosed
EP-1888588-A2 PROTEIN KINASE INHIBITORS SuperGen, Inc. (US) 2008-02-20 EP disclosed
WO-2006116733-A2 PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2006-11-02 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 (2 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-20080207632-A1 PROTEIN KINASE INHIBITORS ERBB3, ERBB2, AXL VCAM1 3553/4885MEN1 1002/4885KMT2A 624/4885
US-20090029982-A1 PROTEIN KINASE INHIBITORS CDK2, PACSIN2, AKT1 VCAM1 3902/4885MEN1 1439/4885KMT2A 736/4885

“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.