SCHEMBL9926499

SCHEMBL9926499

Cc1cc(Cl)cc(C(=O)NCCN2CCOCC2)c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.67
HTR1A P08908 1/20 0.67
MAOA P21397 1/20 0.67
MAOB P27338 1/20 0.67
KCNH2 Q12809 1/20 0.67
CD274 Q9NZQ7 1/20 0.67
POLB P06746 2/20 0.62
KDM4E B2RXH2 1/20 0.59
TP53 P04637 1/20 0.59
ALOX15 P16050 1/20 0.59
TSHR P16473 1/20 0.58
EPHX2 P34913 1/20 0.58
CYP2C19 P33261 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55

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
SCHEMBL279958 0.81 CYP2C19 (0.72) ALDH1A1HTR1AMAOAMAOBKCNH2
SCHEMBL3281638 0.81 ALDH1A1 (0.67) ALDH1A1HTR1AMAOAMAOBKCNH2
SCHEMBL280240 0.80 MEN1 (0.76) ALDH1A1HTR1AMAOAMAOBKCNH2
Moclobemide SCHEMBL3408310 0.80 CD274 (1.00) ALDH1A1HTR1AMAOAMAOBKCNH2
Moclobemide SCHEMBL49708 0.80 CD274 (1.00) ALDH1A1HTR1AMAOAMAOBKCNH2
SCHEMBL13632449 0.80 POLB (0.62) ALDH1A1HTR1AMAOAMAOBKCNH2
Moclobemide SCHEMBL11475483 0.79 CD274 (0.97) ALDH1A1HTR1AMAOAMAOBKCNH2
SCHEMBL14023396 0.78 LMNA (0.61) ALDH1A1CD274POLBKDM4ETP53
SCHEMBL16574185 0.77 CD274 (0.79) ALDH1A1HTR1AMAOAMAOBKCNH2
SCHEMBL14435528 0.77 POLB (1.00) ALDH1A1HTR1AMAOAMAOBKCNH2

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 ALDH1A1 4361/4885HTR1A 1020/4885MAOA 2314/4885

“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.