SCHEMBL9926533

SCHEMBL9926533

Cc1cc(Cl)ccc1CC(=O)NCc1ccncc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
HPGD P15428 2/20 0.62
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.55
GLA P06280 1/20 0.55
MAPK1 P28482 1/20 0.55
P2RX7 Q99572 1/20 0.55
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
HTT P42858 2/20 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
SCHEMBL9926520 0.86 MEN1 (0.55) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9926518 0.85 NPC1 (0.57) SMN1; SMN2LMNAGAAMAPTKMT2A
SCHEMBL9926561 0.82 KMT2A (0.65) SMN1; SMN2ALDH1A1KMT2AMEN1NPC1
SCHEMBL9926519 0.78 POLB (0.58) SMN1; SMN2CYP1A2CYP2C19HPGDALDH1A1
SCHEMBL13964458 0.77 SMN1; SMN2 (0.75) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9926464 0.76 P2RX7 (0.51) KDM4EP2RX7GAA
SCHEMBL9926585 0.74 P2RX7 (0.50) SMN1; SMN2HPGDALDH1A1LMNAP2RX7
SCHEMBL8651253 0.74 P2RX7 (0.50) HPGDALDH1A1P2RX7KMT2AMEN1
SCHEMBL23565221 0.74 P2RX7 (0.59) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9926531 0.74 ANO1 (0.51) ALDH1A1KDM4EP2RX7MAPTHTT

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 SMN1; SMN2 886/4885CYP1A2 1912/4885CYP3A4 348/4885

“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.