SCHEMBL17324734

SCHEMBL17324734

COc1cc2cc(C(C)=O)oc2cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
RECQL P46063 2/20 0.50
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 2/20 0.47
GLA P06280 2/20 0.47
GAA P10253 2/20 0.47
HPGD P15428 2/20 0.47
CASP1 P29466 2/20 0.47
CASP7 P55210 2/20 0.47
HSD17B10 Q99714 2/20 0.47
BRCA1 P38398 1/20 0.47
CA9 Q16790 2/20 0.42
RAB9A P51151 3/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
FLT3 P36888 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 3/20 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
SCHEMBL16492619 0.89 LMNA (0.57) LMNARECQLALDH1A1SMN1; SMN2KDM4E
SCHEMBL17321457 0.84 TAS1R3 (0.38) LMNARECQLALDH1A1SMN1; SMN2KDM4E
SCHEMBL20136038 0.83 LMNA (0.56) LMNARECQLALDH1A1SMN1; SMN2KDM4E
SCHEMBL29610111 0.83 LMNA (0.56) LMNARECQLALDH1A1SMN1; SMN2KDM4E
SCHEMBL19782558 0.81 AKR1B1 (0.43) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL15349723 0.79 LMNA (0.51) LMNARECQLALDH1A1SMN1; SMN2KDM4E
SCHEMBL16710569 0.78 STING1 (0.38) LMNAALDH1A1SMN1; SMN2RAB9AMAPK1
SCHEMBL24139263 0.78 ALDH1A1 (0.50) LMNARECQLALDH1A1SMN1; SMN2KDM4E
SCHEMBL19997310 0.77 TAS1R3 (0.43)
SCHEMBL20136021 0.77 CA12 (0.58) LMNARECQLALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3252050-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS Bristol-Myers Squibb Company (US) 2017-12-06 EP disclosed
EP-3252049-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS Bristol-Myers Squibb Company (US) 2017-12-06 EP disclosed
US-20150353505-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-12-10 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-20150353505-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 LMNA 1663/4885RECQL 1760/4885ALDH1A1 2590/4885

“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.