SCHEMBL8305486

SCHEMBL8305486

Cc1ccc(N2CCCCC2=O)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.45
TP53 P04637 1/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
AKR1C3 P42330 1/20 0.41
F10 P00742 1/20 0.41
BRD9 Q9H8M2 1/20 0.40
METAP2 P50579 1/20 0.40
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
SRD5A1 P18405 2/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
ALDH1A3 P47895 1/20 0.37
ACHE P22303 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
SCHEMBL8305501 0.95 HSD17B10 (0.50) HSD17B10TP53MEN1KMT2AAKR1C3
SCHEMBL22816936 0.84 HSD17B10 (0.42) HSD17B10MEN1KMT2AAKR1C3F10
SCHEMBL8305499 0.84 HSD17B10 (0.51) HSD17B10TP53MEN1KMT2AAKR1C3
SCHEMBL22816934 0.83 ALDH1A1 (0.60) HSD17B10MEN1KMT2AALDH1A1POLB
SCHEMBL19002852 0.83 HSD17B10 (0.50) HSD17B10TP53MEN1KMT2AAKR1C3
SCHEMBL4480763 0.82 SRD5A1 (0.42) HSD17B10TP53MEN1KMT2AAKR1C3
SCHEMBL8305775 0.81 HSD17B10 (0.45) HSD17B10TP53MEN1KMT2AAKR1C3
SCHEMBL17244485 0.81 HSD17B10 (0.64) HSD17B10TP53MEN1KMT2AAKR1C3
SCHEMBL4402429 0.81 TP53 (0.47) HSD17B10TP53MEN1KMT2AAKR1C3
SCHEMBL12848677 0.80 HSD17B10 (0.44) HSD17B10TP53MEN1KMT2AAKR1C3

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 HSD17B10 3381/4885TP53 3270/4885MEN1 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.