SCHEMBL1770599

SCHEMBL1770599

CN1CCN([CH]C=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.35
CYP1A2 P05177 1/20 0.35
ALDH1A1 P00352 2/20 0.34
POLB P06746 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
SCHEMBL273020 0.77
SCHEMBL29178251 0.77 TDP1 (0.38) TDP1CYP1A2ALDH1A1POLB
SCHEMBL9468746 0.76
SCHEMBL2067520 0.76
Hydrochloric Acid SCHEMBL3831383 0.74 TDP1 (0.36) TDP1CYP1A2ALDH1A1POLB
Bromide SCHEMBL16765046 0.74 TDP1 (0.36) TDP1CYP1A2ALDH1A1POLB
SCHEMBL1164351 0.74 ALDH1A1 (0.32) TDP1CYP1A2ALDH1A1
SCHEMBL6899919 0.73 CA1 (0.36) ALDH1A1POLB
SCHEMBL4280147 0.73
SCHEMBL3469116 0.72 MC4R (0.32)

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
CN-110063951-A Improve the Compounds and methods for of impaired endogenous fibrinolysis using histone deacetylase mortifier 赛伦诺科学有限公司 2019-07-30 CN disclosed
US-8378092-B2 Chlorothiophene-amides as inhibitors of coagulation factors Xa and thrombin SANOFI (FR) 2013-02-19 US disclosed
US-20110112075-A1 CHLOROTHIOPHENE-AMIDES AS INHIBITORS OF COAGULATION FACTORS XA AND THROMBIN SANOFI-AVENTIS (FR) 2011-05-12 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-20110112075-A1 CHLOROTHIOPHENE-AMIDES AS INHIBITORS OF COAGULATION FACTORS XA AND THROMBIN F12, F3, F2 TDP1 407/4885CYP1A2 376/4885ALDH1A1 2562/4885

“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.