SCHEMBL4839781

SCHEMBL4839781

CCC(CC)C(=O)Nc1cccc(C(=O)/C=C2\NC(C)(C)Cc3ccc(OC)cc32)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.47
MEN1 O00255 3/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
TSHR P16473 1/20 0.42
LMNA P02545 3/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL4839793 1.00 KMT2A (0.47) KMT2AMEN1CYP2C9CYP2C19TSHR
SCHEMBL4834949 0.94 EHMT2 (0.42) KMT2AMEN1CYP2C9CYP2C19TSHR
SCHEMBL4834960 0.94 EHMT2 (0.42) KMT2AMEN1CYP2C9CYP2C19TSHR
SCHEMBL4844562 0.93 KDM4E (0.41) KMT2AMEN1CYP2C9CYP2C19TSHR
SCHEMBL4844539 0.93 KDM4E (0.41) KMT2AMEN1CYP2C9CYP2C19TSHR
SCHEMBL4842607 0.92 KMT2A (0.41) KMT2AMEN1CYP2C9CYP2C19TSHR
SCHEMBL4842621 0.92 KMT2A (0.41) KMT2AMEN1CYP2C9CYP2C19TSHR
SCHEMBL4838992 0.92 KMT2A (0.40) KMT2AMEN1CYP2C9CYP2C19TSHR
SCHEMBL4838984 0.92 KMT2A (0.40) KMT2AMEN1CYP2C9CYP2C19TSHR
SCHEMBL4842007 0.91 LMNA (0.42) KMT2AMEN1CYP2C9CYP2C19LMNA

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-7378428-B2 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-27 US disclosed
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 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-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient PARK7, MMP8, CDK7 KMT2A 4642/4885MEN1 1230/4885CYP2C9 1663/4885

“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.