SCHEMBL17200627

SCHEMBL17200627

C=Cc1ccnc(Oc2ccc(CCO)cc2F)c1C(=O)OCC

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ROCK2 O75116 8/20 0.35
CYP4F2 P78329 2/20 0.34
CYP4A11 Q02928 2/20 0.34
PRKCZ Q05513 1/20 0.34
MAPT P10636 1/20 0.33
NPC1 O15118 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL15729679 0.93 LMNA (0.37) LMNASMN1; SMN2ROCK2PRKCZNPC1
SCHEMBL15729304 0.92 ROCK2 (0.36) ROCK2CYP4F2CYP4A11PRKCZMAPT
SCHEMBL15729356 0.92 ROCK2 (0.37) ROCK2PRKCZ
SCHEMBL15729362 0.87 ROCK2 (0.36) ROCK2PRKCZMAPTL3MBTL1
SCHEMBL15729335 0.87 HTR1A (0.38) LMNASMN1; SMN2PRKCZMAPTL3MBTL1
SCHEMBL15729305 0.87 ROCK2 (0.35) ROCK2PRKCZ
SCHEMBL15729351 0.85 ALOX5 (0.40) SMN1; SMN2PRKCZL3MBTL1
SCHEMBL17090960 0.85 MAPT (0.38) LMNASMN1; SMN2PRKCZMAPT
SCHEMBL15729807 0.84 CYP4F2 (0.42) LMNASMN1; SMN2CYP4F2CYP4A11PRKCZ
SCHEMBL15729354 0.84 LMNA (0.40) LMNASMN1; SMN2ROCK2PRKCZNPC1

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-9777005-B2 Bicyclic heterocyclic compound containing a substituted pyrrole ring TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 US disclosed
US-9732086-B2 2017-08-15 US disclosed
US-20150307497-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-29 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-20150307497-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM2, CHRM4 LMNA 3899/4885SMN1; SMN2 915/4885ROCK2 2981/4885

“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.