SCHEMBL8305787

SCHEMBL8305787

Cc1ccc(N2C(=O)NCC2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ELANE P08246 2/20 0.41
F2 P00734 1/20 0.41
CTSG P08311 1/20 0.41
CMA1 P23946 1/20 0.41
CTRC Q99895 1/20 0.41
ALOX5 P09917 1/20 0.40
MAPT P10636 1/20 0.39
MGLL Q99685 1/20 0.38
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
CDK4 P11802 1/20 0.37
CCNA2 P20248 1/20 0.37
CCND1 P24385 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37

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
SCHEMBL16701852 0.84 DDB1 (0.39) GAARAB9AMEN1KMT2AMAPT
SCHEMBL31663152 0.83 GAA (0.44) GAARAB9AMEN1KMT2AALOX5
SCHEMBL2234874 0.83 GAA (0.44) GAARAB9AMEN1KMT2AALOX5
SCHEMBL16702434 0.80 SIRT6 (0.45) MEN1KMT2AMAPTPOLBLMNA
SCHEMBL30797129 0.78 ELANE (0.44) ELANECDK4CCNA2CCND1CCNE1
SCHEMBL30797229 0.77 RET (0.36) CDK4CCNA2CCND1CCNE1CDK2
SCHEMBL30797058 0.76 GAA (0.41) GAARAB9AMEN1KMT2AELANE
SCHEMBL30797417 0.76 GAA (0.41) GAARAB9AMEN1KMT2AELANE
SCHEMBL30797099 0.75 NPC1 (0.45) GAARAB9AKMT2AMAPTPOLB
SCHEMBL30797207 0.74 GAA (0.40) GAARAB9AMEN1KMT2AELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO 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-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS F12, F2, PEPD GAA 1503/4885RAB9A 3566/4885MEN1 228/4885

“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.