SCHEMBL12845484

SCHEMBL12845484

CCc1ccc(C(=O)NCCN(CC)CC)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.72
ALDH1A1 P00352 2/20 0.72
SLC22A2 O15244 1/20 0.72
SLC22A1 O15245 1/20 0.72
TSHR P16473 1/20 0.72
ACHE P22303 1/20 0.72
MAPK1 P28482 1/20 0.72
CYP2C19 P33261 1/20 0.72
BLM P54132 2/20 0.70
PMP22 Q01453 1/20 0.70
NFKB1 P19838 1/20 0.67
KCNH2 Q12809 1/20 0.67
POLB P06746 2/20 0.65
CYP3A4 P08684 1/20 0.65
THRB P10828 1/20 0.65
ATM Q13315 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
SCN1A P35498 1/20 0.62
SCN2A Q99250 1/20 0.62
SCN3A Q9NY46 1/20 0.62

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
SCHEMBL17688292 0.93 ALDH1A1 (0.62) LMNAALDH1A1SLC22A2SLC22A1TSHR
SCHEMBL8404684 0.88 ALDH1A1 (0.56) LMNAALDH1A1SLC22A2SLC22A1TSHR
SCHEMBL19634425 0.88 ALDH1A1 (0.73) LMNAALDH1A1SLC22A2SLC22A1TSHR
SCHEMBL14399552 0.86 ALDH1A1 (0.54) LMNAALDH1A1SLC22A2SLC22A1TSHR
SCHEMBL11919098 0.86 LMNA (0.58) LMNAALDH1A1SLC22A2SLC22A1TSHR
SCHEMBL9254351 0.85 ALDH1A1 (0.74) LMNAALDH1A1SLC22A2SLC22A1TSHR
SCHEMBL10195011 0.85 LMNA (0.74) LMNAALDH1A1SLC22A2SLC22A1TSHR
SCHEMBL10076245 0.85 ALDH1A1 (0.66) LMNAALDH1A1SLC22A2SLC22A1TSHR
SCHEMBL19634459 0.85 ALDH1A1 (0.68) LMNAALDH1A1SLC22A2SLC22A1TSHR
SCHEMBL24185288 0.84 LMNA (0.72) LMNAALDH1A1SLC22A2SLC22A1TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902239-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-08 US disclosed
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 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-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K1, MAP3K5 LMNA 3537/4885ALDH1A1 3235/4885SLC22A2 4479/4885

“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.