SCHEMBL8149236

SCHEMBL8149236

Cc1cc2cc(Cl)ccc2cc1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 2/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 2/20 0.42
HPGD P15428 1/20 0.42
LCK P06239 1/20 0.41
POLB P06746 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
NPY1R P25929 1/20 0.40
HTT P42858 1/20 0.40
NPY2R P49146 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
GPR52 Q9Y2T5 2/20 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
SCHEMBL8141517 1.00 KDM4E (0.50) KDM4ESMN1; SMN2HSD17B10ALDH1A1GLA
SCHEMBL10746287 0.84 KDM4E (0.49) KDM4ESMN1; SMN2HSD17B10ALDH1A1RAB9A
SCHEMBL14347715 0.83 LMNA (0.41) KDM4ESMN1; SMN2HSD17B10ALDH1A1GAA
SCHEMBL8147743 0.82 POLB (0.43) KDM4ESMN1; SMN2HSD17B10ALDH1A1GLA
SCHEMBL17913137 0.81 KDM4E (0.51) KDM4ESMN1; SMN2HSD17B10ALDH1A1GLA
SCHEMBL14347952 0.80 LMNA (0.39) KDM4ESMN1; SMN2HSD17B10ALDH1A1GAA
SCHEMBL1999332 0.80 ALDH1A1 (0.59) KDM4ESMN1; SMN2HSD17B10ALDH1A1GLA
SCHEMBL2468739 0.80 KDM4E (0.55) KDM4ESMN1; SMN2HSD17B10ALDH1A1GLA
SCHEMBL8140936 0.80 IRAK4 (0.54) KDM4EHSD17B10ALDH1A1GAAHPGD
SCHEMBL8155359 0.79 DGAT1 (0.47) KDM4ESMN1; SMN2ALDH1A1HPGDLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7250415-B2 1,1-Disubstitutedcycloalkyl-, glycinamidyl-, sulfonyl-amidino-, and tetrahydropyrimidinyl-containing diaminoalkyl, β-aminoacids, α-aminoacids and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-31 US disclosed
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
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 US disclosed
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 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 KDM4E 4377/4885SMN1; SMN2 2742/4885HSD17B10 3663/4885

“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.