SCHEMBL14629948

SCHEMBL14629948

N=C(c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(CI)cc2)cc1)N1CCC1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.58
ABCG2 Q9UNQ0 2/20 0.48
HDAC6 Q9UBN7 1/20 0.48
NR1H4 Q96RI1 1/20 0.47
POLB P06746 1/20 0.45
KCNH2 Q12809 1/20 0.43

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
SCHEMBL14629750 0.97 F10 (0.59) F10ABCG2HDAC6NR1H4POLB
SCHEMBL14629669 0.88 F10 (0.47) F10ABCG2NR1H4
SCHEMBL14630235 0.86 F10 (0.50) F10KCNH2
SCHEMBL10180912 0.86 F10 (0.76) F10KCNH2
SCHEMBL13349226 0.86 F10 (0.61) F10ABCG2POLB
SCHEMBL14629670 0.86 F10 (0.47) F10NR1H4
SCHEMBL10178908 0.84 F10 (0.76) F10KCNH2
SCHEMBL10146706 0.84 F10 (0.61) F10POLB
SCHEMBL13348874 0.84 F10 (0.61) F10ABCG2POLB
SCHEMBL14629756 0.84 F10 (0.57) F10ABCG2

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 18/4885ABCG2 63/4885HDAC6 810/4885

“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.