SCHEMBL18176619

SCHEMBL18176619

N#CCn1c(-c2ccc(O)cc2)nc2ccccc2c1=O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.57
▸ ALDH1A1 P00352 9/20 0.55
▸ SMN1; SMN2 Q16637 5/20 0.54
▸ RECQL P46063 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ MEN1 O00255 4/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ ATM Q13315 1/20 0.53
▸ CASR P41180 2/20 0.52
▸ CYP1A2 P05177 2/20 0.52
▸ CYP2C9 P11712 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ GAA P10253 2/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ GFER P55789 1/20 0.51
▸ TSHR P16473 2/20 0.48

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
SCHEMBL15689553 0.87 ALDH1A1 (0.55) LMNAALDH1A1SMN1; SMN2RECQLRAB9A
SCHEMBL5777640 0.80 CASR (0.82) LMNAALDH1A1SMN1; SMN2RECQLRAB9A
SCHEMBL18176612 0.77 ALDH1A1 (0.65) LMNAALDH1A1SMN1; SMN2RECQLRAB9A
SCHEMBL15691338 0.76 CASR (0.55) LMNAALDH1A1SMN1; SMN2RECQLRAB9A
SCHEMBL27685271 0.74 ALDH1A1 (0.61) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL15691850 0.74 CASR (0.68) LMNAALDH1A1SMN1; SMN2RECQLRAB9A
SCHEMBL15689790 0.74 ALDH1A1 (0.52) LMNAALDH1A1SMN1; SMN2RECQLRAB9A
SCHEMBL15691362 0.73 F11 (0.52) ALDH1A1MEN1KMT2ACASRGAA
SCHEMBL15700030 0.73 F11 (0.66) LMNAALDH1A1SMN1; SMN2RECQLRAB9A
SCHEMBL11008746 0.72 CASR (0.72) LMNAALDH1A1SMN1; SMN2RECQLRAB9A

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 4 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

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 LMNA 4253/4885ALDH1A1 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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