SCHEMBL9926516

SCHEMBL9926516

Cc1cc(Cl)ccc1CC(=O)NCCN1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.60
KMT2A Q03164 2/20 0.57
ALDH1A1 P00352 1/20 0.56
HTR1A P08908 1/20 0.56
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
KCNH2 Q12809 1/20 0.56
CD274 Q9NZQ7 1/20 0.56
LMNA P02545 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CNR1 P21554 1/20 0.54
NPSR1 Q6W5P4 1/20 0.53
PKM P14618 1/20 0.53
TSHR P16473 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL9926514 0.88 CNR1 (0.54) POLBKMT2ALMNASMN1; SMN2CNR1
SCHEMBL9926577 0.76 RAB9A (0.59) KMT2AALDH1A1
SCHEMBL9926646 0.74 P2RX7 (0.48) KMT2ANPSR1
SCHEMBL30553808 0.74 SMN1; SMN2 (0.55) POLBKMT2AALDH1A1HTR1AMAOA
SCHEMBL20772427 0.74 SMN1; SMN2 (0.55) POLBKMT2AALDH1A1HTR1AMAOA
SCHEMBL23778710 0.74 POLB (0.54) POLBKMT2AALDH1A1HTR1AMAOA
SCHEMBL4243681 0.74 CYP2A13 (0.71) KMT2ALMNANPSR1TSHR
SCHEMBL9926585 0.74 P2RX7 (0.50) POLBKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL1578481 0.73 EPHX2 (0.51) POLBKMT2AALDH1A1HTR1AMAOA
SCHEMBL11486045 0.73 HTT (0.80) KMT2AALDH1A1HTR1AMAOAMAOB

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-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS NOVARTIS AG (CH) 2012-06-14 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-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS MDM4, MDM2, TP53 POLB 2312/4885KMT2A 1512/4885ALDH1A1 4361/4885

“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.