SCHEMBL9926489

SCHEMBL9926489

CC1=NCCN1c1ccccc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA4 P22748 1/20 0.52
CA7 P43166 1/20 0.52
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
DNMT1 P26358 1/20 0.44
RAD52 P43351 1/20 0.44
UHRF1 Q96T88 1/20 0.44
ADRB1 P08588 1/20 0.43
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
P2RX7 Q99572 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39

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
SCHEMBL2926589 0.83 ADRA2C (0.46) CA1CA2CA4CA7DNMT1
SCHEMBL5584213 0.76 SIGMAR1 (0.62) CA1CA2CA4CA7DNMT1
SCHEMBL16786521 0.73 DDB1 (0.52) DDB1CRBNADRB1ALDH1A1HPGD
SCHEMBL11821492 0.71 CA1 (0.41) CA1CA2CA4CA7DDB1
SCHEMBL10034495 0.70 CRBN (0.45) CRBNALDH1A1HPGDSMN1; SMN2
SCHEMBL8873384 0.69 SIGMAR1 (0.50) DDB1CRBNADRB1ALDH1A1HPGD
SCHEMBL217611 0.68 ADRB1 (0.60) ADRB1LMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL8296006 0.68 SIGMAR1 (0.42) CA1CA2CA4CA7ADRB1
SCHEMBL4291189 0.68 ADRB1 (0.72) ADRB1LMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL4543332 0.67 DDB1 (0.50) CA1CA2CA4CA7DDB1

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 CA1 4201/4885CA2 4415/4885CA4 2507/4885

“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.