SCHEMBL1378624

SCHEMBL1378624

N#Cc1cccc2c(CO)cccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP19A1 P11511 1/20 0.41
IMPDH2 P12268 1/20 0.40
IMPDH1 P20839 1/20 0.40
PNMT P11086 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HTT P42858 1/20 0.39
GCGR P47871 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
ESR2 Q92731 1/20 0.37
GALR3 O60755 1/20 0.37
RAB9A P51151 1/20 0.37
AR P10275 2/20 0.37

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
SCHEMBL29559252 0.88 CYP19A1 (0.51) ALDH1A1MAPTCYP19A1IMPDH2IMPDH1
SCHEMBL24337996 0.88 CYP19A1 (0.51) ALDH1A1MAPTCYP19A1IMPDH2IMPDH1
SCHEMBL29489124 0.82 CA1 (0.54) CA1CA2ALDH1A1MAPTIMPDH2
SCHEMBL45954 0.82 CA1 (0.54) CA1CA2ALDH1A1MAPTIMPDH2
SCHEMBL2940694 0.82 SLC6A2 (0.42) CA1CA2ALDH1A1MAPTSMN1; SMN2
SCHEMBL3883853 0.82 ALDH1A1 (0.40) CA1CA2ALDH1A1MAPTSMN1; SMN2
SCHEMBL30496165 0.80 ALDH1A1 (0.49) CA1CA2ALDH1A1MAPTSMN1; SMN2
SCHEMBL483697 0.80 ALDH1A1 (0.49) CA1CA2ALDH1A1MAPTSMN1; SMN2
SCHEMBL28215006 0.79 S1PR1 (0.40) CA1CA2ALDH1A1MAPTSMN1; SMN2
SCHEMBL3034972 0.79 APOBEC3G (0.48) MAPTSMN1; SMN2HTTKDM4EGAA

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
US-20110288057-A1 SALICYLIC ACID DERIVATIVES BEING FARNESYL PYROPHOSPHATE SYNTHASE ACTIVITY INHIBITORS NOVARTIS AG (CH) 2011-11-24 US disclosed
CN-102186803-A Salicylic acid derivatives being farnesyl pyrophosphate synthase activity inhibitors NOVARTIS AG 2011-09-14 CN disclosed
EP-2342173-A1 SALICYLIC ACID DERIVATIVES BEING FARNESYL PYROPHOSPHATE SYNTHASE ACTIVITY INHIBITORS Novartis AG (CH) 2011-07-13 EP disclosed
WO-2010043584-A1 SALICYLIC ACID DERIVATIVES BEING FARNESYL PYROPHOSPHATE SYNTHASE ACTIVITY INHIBITORS NOVARTIS AG (CH) 2010-04-22 WO 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-20110288057-A1 SALICYLIC ACID DERIVATIVES BEING FARNESYL PYROPHOSPHATE SYNTHASE ACTIVITY INHIBITORS FDPS, GGPS1, COASY CA1 4343/4885CA2 3427/4885ALDH1A1 643/4885

“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.