SCHEMBL14629752

SCHEMBL14629752

N=C(c1ccc(CNc2ccccc2C(=O)Nc2ccc(CI)cn2)cc1)N1CCSCC1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.63
KCNH2 Q12809 1/20 0.42
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL12134532 0.90 F10 (0.63) F10KCNH2ALDH1A1HSD17B10
SCHEMBL10178345 0.90 F10 (0.79) F10KCNH2
SCHEMBL14629908 0.85 F10 (0.62) F10KCNH2
SCHEMBL14404615 0.83 F10 (0.75) F10KCNH2
SCHEMBL14629731 0.82 F10 (0.75) F10KCNH2
SCHEMBL10181227 0.81 F10 (0.78) F10KCNH2
SCHEMBL13348770 0.81 F10 (0.61) F10KCNH2ALDH1A1HSD17B10L3MBTL1
SCHEMBL14629984 0.81 F10 (0.49) F10ALDH1A1POLBHPGDHSD17B10
SCHEMBL10178868 0.81 F10 (0.78) F10KCNH2
SCHEMBL13348876 0.81 F10 (0.62) F10KCNH2ALDH1A1HSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070021472-A1 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide; potent and highly selective inhibitors; coagulation disorders; antithrombotic agents; diagnostic reagents; good bioavailability and/or solubility MILLENNIUM PHARMACEUTICALS, INC. 2007-01-25 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-20070021472-A1 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide; potent and highly selective inhibitors; coagulation disorders; antithrombotic agents; diagnostic reagents; good bioavailability and/or solubility F2, TFPI, PLG F10 18/4885KCNH2 1101/4885ALDH1A1 1661/4885

“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.