SCHEMBL13699629

SCHEMBL13699629

Cc1cc(Cl)ccc1N1CCN(C(=O)C(C)(C)C)C[C@H]1c1ccc(C(=O)c2cccnc2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 6/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
IDE P14735 1/20 0.38
PDE4B Q07343 3/20 0.37
PDE4D Q08499 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP3A5 P20815 1/20 0.37
LMNA P02545 2/20 0.37
SMO Q99835 1/20 0.37
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
GPBAR1 Q8TDU6 2/20 0.36
REV1 Q9UBZ9 1/20 0.36
RIPK1 Q13546 1/20 0.36
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL4168355 0.86 MDM2 (0.43) MDM2MEN1KMT2AIDECYP3A4
SCHEMBL4168350 0.86 MDM2 (0.43) MDM2MEN1KMT2AIDECYP3A4
SCHEMBL13699627 0.86 REV1 (0.47) MDM2MEN1KMT2AIDECYP3A4
SCHEMBL13699560 0.82 MDM2 (0.43) MDM2MEN1KMT2AIDEPDE4B
SCHEMBL4166201 0.80 MDM2 (0.47) MDM2MEN1KMT2AIDELMNA
SCHEMBL4166206 0.80 MDM2 (0.47) MDM2MEN1KMT2AIDELMNA
SCHEMBL13699559 0.80 CNR1 (0.42) MDM2MEN1KMT2AIDEPDE4B
SCHEMBL4163914 0.79 MDM2 (0.46) MDM2MEN1KMT2AIDECYP3A4
SCHEMBL13699573 0.78 MDM2 (0.44) MDM2MEN1KMT2AIDECYP3A4
SCHEMBL13699619 0.78 MDM2 (0.42) MDM2MEN1KMT2AIDELMNA

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-20090221582-A1 Piperazine Derivatives And Their Use In Therapy VERNALIS (R&D) (GB) 2009-09-03 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-20090221582-A1 Piperazine Derivatives And Their Use In Therapy CNR2, CNR1, ALK MDM2 2997/4885MEN1 1455/4885KMT2A 1254/4885

“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.