SCHEMBL5433503

SCHEMBL5433503

NCCNC(=O)c1ccc(-n2ccncc2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
MAOB P27338 1/20 0.49
MEN1 O00255 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
KMT2A Q03164 1/20 0.48
F10 P00742 4/20 0.47
TERT O14746 2/20 0.45
MAPK14 Q16539 1/20 0.44
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL5433501 0.84 F10 (0.46) F10MAPK14KDM4ESMN1; SMN2
SCHEMBL4784430 0.80 F10 (0.62) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL5431357 0.79 F10 (0.47) KMT2AF10MAPK14NPC1
SCHEMBL8781065 0.78 CYP4Z1 (0.57) CYP1A2TSHRNFKB1MAOBMEN1
Hydrochloric Acid SCHEMBL8781047 0.77 CYP4Z1 (0.56) CYP1A2TSHRNFKB1MAOBMEN1
SCHEMBL5437504 0.77 RHOC (0.52) MEN1KMT2AF10KDM4ESMN1; SMN2
SCHEMBL2639862 0.77 MKNK1 (0.46) F10MAPK14
SCHEMBL5433368 0.76 F10 (0.40) MEN1KMT2AF10MAPK14
SCHEMBL4748205 0.75 NR4A1 (0.53) TSHRMEN1KMT2AF10MAPK14
SCHEMBL5429383 0.75 ROCK1 (0.61)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129361-A1 LACTAM-CONTAINING DIAMINOALKYL, Beta-AMINOACIDS, Alpha-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-07 US claimed
US-20070129361-A1 LACTAM-CONTAINING DIAMINOALKYL, Beta-AMINOACIDS, Alpha-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-07 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-20070129361-A1 LACTAM-CONTAINING DIAMINOALKYL, Beta-AMINOACIDS, Alpha-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS PEPD, XPNPEP1, METAP1 CYP1A2 2248/4885TSHR 3524/4885NFKB1 993/4885

“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.