SCHEMBL3704337

SCHEMBL3704337

CC(C)(C)OC(=O)CC(C)(C)OC(=O)NCCCCCCNC(=O)n1cc2ccccc2c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.43
TDP1 Q9NUW8 1/20 0.42
DRD2 P14416 7/20 0.41
TPSAB1 Q15661 1/20 0.41
TPSD1 Q9BZJ3 1/20 0.41
TPSG1 Q9NRR2 1/20 0.41
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CYP3A4 P08684 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
SCHEMBL3702878 0.90 TDP1 (0.52) BRD4TDP1DRD2TPSAB1TPSD1
SCHEMBL3704339 0.81 NAMPT (0.61)
SCHEMBL3711066 0.74 LMNA (0.53) CA1CA2
SCHEMBL3705577 0.74 NAMPT (0.52)
SCHEMBL3705586 0.70 EPHX1 (0.52)
SCHEMBL3702879 0.69 NAMPT (0.72)
SCHEMBL24186385 0.68 TDP1 (0.51) TDP1DRD2CA12CA1CA2
SCHEMBL16151782 0.67 MAOA (0.56) TDP1CA12CA1CYP3A4
SCHEMBL137629 0.67 TDP1 (0.85) TDP1DRD2CA12CA1CA2
SCHEMBL136815 0.67 TDP1 (0.85) TDP1DRD2CA12CA1CA2

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-10093624-B2 NAMPT and ROCK inhibitors ABBVIE INC. (US) 2018-10-09 US disclosed
US-9302989-B2 NAMPT and rock inhibitors ABBVIE INC. (US) 2016-04-05 US disclosed
US-20160031880-A1 Nampt and Rock Inhibitors ABBVIE INC. (US) 2016-02-04 US disclosed
US-20120122842-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 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 (3 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-10093624-B2 NAMPT and ROCK inhibitors NAMPT, NNMT, NADK BRD4 544/4885TDP1 1894/4885DRD2 4283/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 BRD4 1681/4885TDP1 2193/4885DRD2 4755/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 BRD4 1681/4885TDP1 2193/4885DRD2 4755/4885

“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.