SCHEMBL10290571

SCHEMBL10290571

C=C(C)c1cc(F)c(N)cc1O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ IKBKE Q14164 1/20 0.30
▸ TBK1 Q9UHD2 1/20 0.30
▸ HSD17B1 P14061 1/20 0.30
▸ HSD17B2 P37059 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
SCHEMBL12000933 0.81 CYP3A4 (0.36) LMNACYP3A4MAPTALDH1A1
SCHEMBL23012643 0.77 IKBKE (0.32) MAPTALDH1A1IKBKETBK1
SCHEMBL10289754 0.76 MAPT (0.33) LMNACYP3A4MAPTALDH1A1
SCHEMBL12631248 0.76 LMNA (0.30) LMNACYP3A4MAPT
SCHEMBL10290619 0.76 CFTR (0.36) LMNACYP3A4MAPT
SCHEMBL31127856 0.74 POLB (0.35) MAPTALDH1A1
SCHEMBL7056404 0.73 ALDH1A1 (0.48) LMNACYP3A4MAPTALDH1A1
SCHEMBL19566847 0.73 HTT (0.37) LMNACYP3A4MAPTALDH1A1
SCHEMBL7607737 0.73 ALDH1A1 (0.40) LMNACYP3A4MAPTALDH1A1
SCHEMBL25939506 0.73 — —

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-8399479-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-19 — — US disclosed
US-20100168158-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-01 — — 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-20100168158-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, ABCB1, ABCC1 LMNA 3549/4885CYP3A4 3621/4885MAPT 4833/4885

“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.

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