SCHEMBL6493858

SCHEMBL6493858

COC(=O)c1cc(C(=O)Nc2ccc(-n3ccnc3CN(C)C(=O)OCc3ccccc3)cc2)n(-c2ccc(OC)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 9/20 0.51
F10 P00742 3/20 0.47
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL6501822 0.83 F10 (0.51) DHODHF10CYP1A2CYP3A4CYP2D6
SCHEMBL6503753 0.81 DHODH (0.52) DHODHF10CYP1A2CYP3A4CYP2D6
SCHEMBL6501405 0.77 F10 (0.51) DHODHF10CYP1A2CYP3A4CYP2D6
SCHEMBL6491855 0.70 F10 (0.46) DHODHF10CYP1A2CYP3A4CYP2D6
SCHEMBL8357269 0.67 F10 (0.55) F10
SCHEMBL6493037 0.66 RPA1 (0.55) DHODHTP53MAPT
SCHEMBL7056604 0.66 ALDH1A1 (0.54) DHODHTP53MAPT
SCHEMBL6502367 0.66 F10 (0.51) F10
SCHEMBL10901961 0.65 NPC1 (0.58) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL8165524 0.65 F10 (0.72) F10TSHR

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 DHODH 3234/4885F10 2/4885CYP1A2 2475/4885

“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.