SCHEMBL15380389

SCHEMBL15380389

CC(C)(C)C1CC(Oc2ccc([N+](=O)[O-])cc2)CN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ EPHX2 P34913 1/20 0.40
▸ MCL1 Q07820 4/20 0.40
▸ ALDH1A1 P00352 5/20 0.39
▸ POLB P06746 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ GAA P10253 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ ANPEP P15144 1/20 0.36
▸ BCL9 O00512 1/20 0.36
▸ CTNNB1 P35222 1/20 0.36

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
SCHEMBL15380544 0.84 CHRM3 (0.36) TDP1MCL1ALDH1A1LMNA
SCHEMBL6136497 0.81 EPHX2 (0.42) KDM4EKMT2ATDP1EPHX2MCL1
SCHEMBL6136623 0.81 EPHX2 (0.42) KDM4EKMT2ATDP1EPHX2MCL1
SCHEMBL6136501 0.81 EPHX2 (0.42) KDM4EKMT2ATDP1EPHX2MCL1
SCHEMBL4317053 0.80 MMP2 (0.52) KDM4EKMT2ATDP1EPHX2MCL1
SCHEMBL4317049 0.80 MMP2 (0.52) KDM4EKMT2ATDP1EPHX2MCL1
SCHEMBL4795920 0.80 MMP2 (0.52) KDM4EKMT2ATDP1EPHX2MCL1
SCHEMBL4313544 0.77 MCL1 (0.53) MCL1ALDH1A1LMNAMAPT
SCHEMBL4313540 0.77 MCL1 (0.53) MCL1ALDH1A1LMNAMAPT
SCHEMBL6847022 0.77 MCL1 (0.53) MCL1ALDH1A1LMNAMAPT

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-9187472-B2 NAMPT inhibitors ABBVIE INC. (US) 2015-11-17 — — US disclosed
US-20130303511-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2013-11-14 — — 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-20130303511-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT KDM4E 3407/4885KMT2A 2175/4885TDP1 2753/4885

“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.

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