SCHEMBL6501822

SCHEMBL6501822

COC(=O)c1cc(C(=O)Nc2ccc(-n3ccnc3CN(C)S(C)(=O)=O)cc2)n(-c2ccc(OC)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.51
DHODH Q02127 5/20 0.46
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.38

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
SCHEMBL6503753 0.86 DHODH (0.52) F10DHODHTP53MAPTCYP1A2
SCHEMBL8357269 0.83 F10 (0.55) F10
SCHEMBL6493858 0.83 DHODH (0.51) F10DHODHTP53MAPTCYP1A2
SCHEMBL6501405 0.82 F10 (0.51) F10DHODHTP53CYP1A2CYP3A4
SCHEMBL8357787 0.80 F10 (0.57) F10
SCHEMBL6491855 0.78 F10 (0.46) F10DHODHTP53MAPTCYP1A2
SCHEMBL6502315 0.72 F10 (0.51) F10
SCHEMBL6248137 0.71 F10 (0.50) F10DHODH
SCHEMBL6492636 0.70 F10 (0.62) F10
SCHEMBL7056604 0.70 ALDH1A1 (0.54) DHODHTP53MAPTMEN1KMT2A

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-6949550-B2 Substituted amino methyl factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-27 US disclosed
US-20030212054-A1 Substituted amino methyl factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-11-13 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-20030212054-A1 Substituted amino methyl factor Xa inhibitors F11, F10, F9 F10 2/4885DHODH 3234/4885TP53 4682/4885

“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.