SCHEMBL5326699

SCHEMBL5326699

[CH2]n1nncc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
HDAC1 Q13547 1/20 0.38
FLT3 P36888 2/20 0.38
GSK3B P49841 2/20 0.38
CYP2D6 P10635 1/20 0.37
KCNMA1 Q12791 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
RAC2 P15153 1/20 0.36
RAC3 P60763 1/20 0.36
CDC42 P60953 1/20 0.36
RAC1 P63000 1/20 0.36
ALDH1A1 P00352 3/20 0.35

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
SCHEMBL8656275 0.74 TSHR (0.49) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL5139302 0.74 CYP1A2 (0.45) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL11280381 0.74 CYP1A2 (0.45) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL1336097 0.74 CYP1A2 (0.45) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL3320095 0.74 PTGS1 (0.46) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL11199768 0.74 CYP1A2 (0.41) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL1395472 0.72 TSHR (0.70) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL24011415 0.69 HDAC1 (0.48) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL2759113 0.69 PTGS1 (0.43) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL2895467 0.68 CDC7 (0.61) HDAC1ALDH1A1IDO1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO claimed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 US claimed
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 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-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 PTGS1 2879/4885PTGS2 3588/4885CYP1A2 4174/4885

“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.