SCHEMBL15700030

SCHEMBL15700030

O=c1c2ccccc2nc(-c2ccc(O)cc2)n1Cc1cn(CCn2cc(Cn3c(-c4ccc(O)cc4)nc4ccccc4c3=O)nn2)nn1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 10/20 0.66
▸ ALDH1A1 P00352 6/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ RECQL P46063 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ CYP1A2 P05177 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ CASR P41180 2/20 0.48
▸ GFER P55789 1/20 0.47
▸ TSHR P16473 1/20 0.47

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
SCHEMBL15691868 0.94 F11 (0.75) F11ALDH1A1SMN1; SMN2LMNARECQL
SCHEMBL18170346 0.93 F11 (0.76) F11ALDH1A1SMN1; SMN2LMNARECQL
SCHEMBL15691852 0.93 F11 (0.76) F11ALDH1A1SMN1; SMN2LMNARECQL
SCHEMBL15690601 0.88 F11 (0.70) F11ALDH1A1SMN1; SMN2LMNARECQL
SCHEMBL18170347 0.88 F11 (0.70) F11ALDH1A1SMN1; SMN2LMNARECQL
SCHEMBL15700029 0.85 F11 (0.90) F11
SCHEMBL15691862 0.85 F11 (0.69) F11ALDH1A1SMN1; SMN2LMNARECQL
SCHEMBL18177865 0.84 F11 (0.88) F11
SCHEMBL18170355 0.83 F11 (0.67) F11ALDH1A1SMN1; SMN2LMNARECQL
SCHEMBL18170353 0.83 F11 (0.70) F11ALDH1A1SMN1; SMN2LMNARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9758459-B2 Allosteric modulators of factor XIa as anticoagulant agents VIRGINIA COMMONWEALTH UNIVERSITY (US) 2017-09-12 — — US disclosed
US-9758459-B2 Allosteric modulators of factor XIa as anticoagulant agents VIRGINIA COMMONWEALTH UNIVERSITY (US) 2017-09-12 — — US disclosed
US-20160311842-A1 ALLOSTERIC MODULATORS OF FACTOR XIa AS ANTICOAGULANT AGENTS VIRGINIA COMMONWEALTH UNIVERSITY 2016-10-27 — — US disclosed
US-20160311842-A1 ALLOSTERIC MODULATORS OF FACTOR XIa AS ANTICOAGULANT AGENTS VIRGINIA COMMONWEALTH UNIVERSITY 2016-10-27 — — US disclosed
WO-2014075045-A1 ALLOSTERIC MODULATORS OF FACTOR XIa AS ANTICOAGULANT AGENTS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2014-05-15 — — 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-20160311842-A1 ALLOSTERIC MODULATORS OF FACTOR XIa AS ANTICOAGULANT AGENTS TFPI, TFPI2, F10 F11 4/4885ALDH1A1 4470/4885SMN1; SMN2 4875/4885

“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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