SCHEMBL6728488

SCHEMBL6728488

COc1c(S(=O)(=O)N2CCN(C(=O)Oc3ncc(-c4ccncc4)cn3)CC2)[nH]c2ccc(Cl)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
CYP2C19 P33261 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
VSIG8 P0DPA2 1/20 0.37
MAPT P10636 2/20 0.36
F10 P00742 5/20 0.36
KLK1 P06870 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CHUK O15111 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL6725420 0.93 ALDH1A1 (0.38) ALDH1A1CYP2C19CYP2C9VSIG8MAPT
SCHEMBL6730820 0.89 ALDH1A1 (0.38) ALDH1A1CYP2C19CYP2C9MAPTF10
SCHEMBL6735109 0.88 ALDH1A1 (0.37) ALDH1A1CYP2C19CYP3A4CYP2C9VSIG8
SCHEMBL6732153 0.87 ALDH1A1 (0.37) ALDH1A1CYP2C19CYP2C9MAPTF10
SCHEMBL6729450 0.84 F10 (0.50) ALDH1A1CYP2C19CYP3A4CYP2C9MAPT
SCHEMBL6725867 0.78 CYP3A4 (0.40) ALDH1A1CYP2C19CYP3A4CYP2C9MAPT
SCHEMBL6730899 0.78 F10 (0.49) ALDH1A1CYP2C19CYP3A4CYP2C9F10
SCHEMBL6729747 0.76 TLR8 (0.41) ALDH1A1CYP2C19CYP2C9MAPTSMN1; SMN2
SCHEMBL6737048 0.74 CYP3A4 (0.38) ALDH1A1CYP2C19CYP3A4CYP2C9MAPT
SCHEMBL6726196 0.74 F10 (0.41) ALDH1A1MAPTF10SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 US disclosed
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 EP 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-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 ALDH1A1 1316/4885CYP2C19 84/4885CYP3A4 130/4885

“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.