SCHEMBL5582231

SCHEMBL5582231

O=C1c2ccc3[nH]nnc3c2CC1Cc1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.40
ROCK2 O75116 1/20 0.38
GAA P10253 1/20 0.33
ABCB1 P08183 2/20 0.31
CYP26A1 O43174 1/20 0.31
ESR1 P03372 1/20 0.31
GRIN1 Q05586 1/20 0.30

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
SCHEMBL5725670 0.80 CYP19A1 (0.32) CYP19A1ESR1
SCHEMBL5582287 0.65 HDAC1 (0.39) CYP19A1CYP26A1
SCHEMBL5582279 0.65 MAOA (0.46) CYP19A1
SCHEMBL5582280 0.63 KDM4E (0.37)
SCHEMBL5581724 0.62 ESR2 (0.44)
SCHEMBL11270285 0.60 GLA (0.60) GAA
SCHEMBL3051430 0.60 ALDH1A1 (0.44) ROCK2GAA
SCHEMBL31474284 0.59 GAA (0.45) ROCK2GAA
SCHEMBL7247938 0.58 CYP19A1 (0.70) CYP19A1CYP26A1
SCHEMBL29038265 0.58 MAOB (0.53) CYP19A1ABCB1

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
US-20070087346-A1 Orthogonal gene switches CILIBERTO GENNARO 2007-04-19 US disclosed
US-20070087346-A1 Orthogonal gene switches CILIBERTO GENNARO 2007-04-19 US disclosed
US-20070087346-A1 Orthogonal gene switches CILIBERTO GENNARO 2007-04-19 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-20070087346-A1 Orthogonal gene switches TCF12, JUN, TCF7 CYP19A1 1564/4885ROCK2 3160/4885GAA 3308/4885

“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.