SCHEMBL6894620

SCHEMBL6894620

CC(C)(C)OC(=O)N1CCN(Cc2ccc([N+](=O)[O-])cc2)C(=O)C1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
LMNA P02545 2/20 0.59
MAPT P10636 2/20 0.59
DPP4 P27487 1/20 0.52
TP53 P04637 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MGLL Q99685 1/20 0.43
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.41
NR2F2 P24468 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL20129614 0.86 TP53 (0.50) ALDH1A1LMNAMAPTDPP4TP53
SCHEMBL14103789 0.86 VEGFA (0.53) TP53HDAC1HDAC6MGLLSMN1; SMN2
SCHEMBL22532823 0.86 TP53 (0.50) ALDH1A1LMNAMAPTDPP4TP53
SCHEMBL4158417 0.85 DPP4 (0.49) ALDH1A1DPP4TP53HDAC1HDAC6
SCHEMBL1876106 0.85 TP53 (0.49) ALDH1A1LMNAMAPTTP53HDAC1
SCHEMBL5283535 0.85 TP53 (0.49) ALDH1A1LMNAMAPTDPP4TP53
SCHEMBL4297578 0.85 NR1H2 (0.50) ALDH1A1MAPTDPP4TP53HDAC1
SCHEMBL1049753 0.84 HDAC1 (0.50) DPP4TP53HDAC1HDAC6MAPK1
SCHEMBL2262766 0.84 CYP3A4 (0.52) ALDH1A1LMNAMAPTDPP4TP53
SCHEMBL1081669 0.84 HDAC1 (0.50) LMNAMAPTTP53HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 US disclosed
CN-115515934-A NAMPT modulators 赛特凯恩蒂克公司 2022-12-23 CN disclosed
EP-4100393-A1 NAMPT MODULATORS Cytokinetics, Inc. (US) 2022-12-14 EP disclosed
WO-2021159015-A1 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-08-12 WO disclosed
US-6680312-B2 FOR THERAPY OF CARDIAC INFARCTION, CEREBRAL THROMBOSIS; INHIBIT ACTIVATED COAGULATION FACTOR X (FXA) TO SHOW ANTI-COAGULANT ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-01-20 US disclosed
US-20020193382-A1 Sulfonamide derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2002-12-19 US disclosed
US-6403595-B1 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-06-11 US disclosed
EP-1054005-A1 SULFONAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND UTILIZATION THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-11-22 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 (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-20230133132-A1 NAMPT MODULATORS NAMPT, MC4R, SIRT1 ALDH1A1 2019/4885LMNA 2810/4885MAPT 718/4885
US-20020193382-A1 Sulfonamide derivatives, their production and use F12, F11, F2 ALDH1A1 2304/4885LMNA 832/4885MAPT 4851/4885

“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.