SCHEMBL6693178

SCHEMBL6693178

O=C1CNC(NCCCOc2ccc3c(C(CC(=O)OC(=O)C(F)(F)F)c4ccc(F)cc4)c[nH]c3c2)=N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAT1 O14929 3/20 0.34
EP300 Q09472 3/20 0.34
MGAM O43451 2/20 0.32
GAA P10253 2/20 0.32
SI P14410 2/20 0.32
MGAM2 Q2M2H8 2/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
TDO2 P48775 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGAV P06756 1/20 0.31
ITGA5 P08648 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL6702745 0.94 MGAM (0.35) HAT1EP300MGAMGAASI
SCHEMBL6698299 0.93 MGAM (0.31) MGAMGAASIMGAM2
Trifluoroacetic Acid SCHEMBL6167469 0.92 ITGB3 (0.36) HAT1EP300MGAMGAASI
SCHEMBL6163090 0.91 HAT1 (0.37) HAT1EP300MGAMGAASI
SCHEMBL6692546 0.88 ITGB3 (0.39) HAT1EP300MGAMGAASI
Trifluoroacetic Acid SCHEMBL6167605 0.86 ITGB3 (0.39) HAT1EP300MGAMGAASI
Trifluoroacetic Acid SCHEMBL6167317 0.85 FFAR1 (0.35) MGAMGAASIMGAM2ITGB3
SCHEMBL6698565 0.85 HAT1 (0.36) HAT1EP300MGAMGAASI
SCHEMBL6697018 0.84 ITGB3 (0.43) HAT1EP300ITGB3ITGB1ITGAV
SCHEMBL6164187 0.84 ITGB3 (0.39) HAT1EP300MGAMGAASI

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-20040138284-A1 Indol-3-yl derivatives WIESNER MATTHIAS 2004-07-15 US disclosed
US-6743810-B2 INTEGRIN INHIBITORS; TUMORS, OSTEOPOROSIS, OSTEOLYTIC DISEASES, SUPPRESSING ANGIOGENESIS, ANTITHROMBOTIC MERCK PATENT GMBH (DE) 2004-06-01 US disclosed
US-20030045728-A1 Liberating 3-substituted indole compound from one of its functional derivatives by treatment with a solvolyzing or hydrogenating agent, amidation, saponification, alkylation or acylation, or salt formation MERCK PATENT GMBH (DE) 2003-03-06 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 (2 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-20030045728-A1 Liberating 3-substituted indole compound from one of its functional derivatives by treatment with a solvolyzing or hydrogenating agent, amidation, saponification, alkylation or acylation, or salt formation IGF1R, IDO1, ITGB3 HAT1 169/4885EP300 139/4885MGAM 811/4885
US-20040138284-A1 Indol-3-yl derivatives ITGB3, ITGB1, IGF1R HAT1 1268/4885EP300 831/4885MGAM 1542/4885

“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.