SCHEMBL9252931

SCHEMBL9252931

CC(C)N1Cc2ccncc2CC1=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 2/20 0.37
NAMPT P43490 14/20 0.35
SIGMAR1 Q99720 1/20 0.35
MITF O75030 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL9252937 0.94 TIPARP (0.37) TIPARPNAMPTSIGMAR1MITFALDH1A1
SCHEMBL9259830 0.86 SIGMAR1 (0.42) TIPARPNAMPTSIGMAR1MITFALDH1A1
SCHEMBL9261369 0.83 SIGMAR1 (0.42) TIPARPNAMPTSIGMAR1MITFALDH1A1
SCHEMBL5956084 0.78 CYP1A2 (0.41)
SCHEMBL9252905 0.75 IDH1 (0.40) MITFALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL9259806 0.75 IDH1 (0.43) MITFALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL828249 0.73 XIAP (0.39) TIPARPMITFALDH1A1LMNARAB9A
SCHEMBL13000004 0.72 BMPR1B (0.49) SIGMAR1MITFALDH1A1LMNARAB9A
SCHEMBL14560232 0.72 BMPR1B (0.46) SIGMAR1MITFALDH1A1LMNARAB9A
SCHEMBL7878390 0.72 MITF (0.43) TIPARPNAMPTSIGMAR1MITFALDH1A1

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-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND SHIONOGI & CO., LTD. (JP) 2012-05-31 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-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND BACE1, STS, APP TIPARP 4754/4885NAMPT 1564/4885SIGMAR1 1154/4885

“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.