SCHEMBL5618985

SCHEMBL5618985

C[C@H](c1ccccc1)N1C[C@H](C(NC(=O)OC(C)(C)C)c2cccnc2)CC1=O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.39
NAMPT P43490 2/20 0.37
SCN9A Q15858 1/20 0.37
ADORA2A P29274 2/20 0.37
ADORA2B P29275 2/20 0.37
CYP3A4 P08684 2/20 0.37
CTSK P43235 2/20 0.37
BCL2 P10415 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
SCHEMBL5618981 1.00 KMT2A (0.46) KMT2AMAPK1RAB9ANAMPTSCN9A
SCHEMBL27561234 0.90 KMT2A (0.53) KMT2AMAPK1CTSK
SCHEMBL4712370 0.90 KMT2A (0.53) KMT2AMAPK1CTSK
SCHEMBL4712368 0.90 KMT2A (0.53) KMT2AMAPK1CTSK
SCHEMBL5619371 0.85 KMT2A (0.46) KMT2AMAPK1SCN9AADORA2AADORA2B
SCHEMBL5619366 0.85 KMT2A (0.46) KMT2AMAPK1SCN9AADORA2AADORA2B
SCHEMBL5618868 0.83 KDM4D (0.41) NAMPTADORA2AADORA2BCYP3A4CTSK
SCHEMBL5618862 0.83 KDM4D (0.41) NAMPTADORA2AADORA2BCYP3A4CTSK
SCHEMBL8329117 0.83 KMT2A (0.54) KMT2AMAPK1CTSK
SCHEMBL8331694 0.83 KMT2A (0.54) KMT2AMAPK1CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1427409-A1 METHODS FOR TREATING OR PREVENTING VASCULAR INFLAMMATION USING STEROL ABSORPTION INHIBITOR(S) SCHERING CORPORATION (US) 2004-06-16 EP claimed
WO-2003026644-A1 METHODS FOR TREATING OR PREVENTING VASCULAR INFLAMMATION USING STEROL ABSORPTION INHIBITOR(S) SCHERING CORPORATION (US) 2003-04-03 WO claimed
US-7186843-B2 potent antibacterial activity against various bacteria including drug-resistant strains DAIICHI PHARMACEUTICAL CO. LTD. (JP) 2007-03-06 US disclosed
US-20040209940-A1 Aminomethylpyrrolidine derivatives having aromatic substituents DAIICHI PHARMACEUTICAL CO., LTD. 2004-10-21 US disclosed
US-6762181-B1 BROAD ANTIBACTERIAL ACTIVITY INCLUDING DRUG RESISTANT STAPHYLOCOCCUS AUREUS (MRSA), PNEUMOCOCCUS (PRSP) AND ENTEROCOCCUS (VRE); SAFELY USED IN CONJUCTION WITH NONSTEROIDAL ANTIINFLAMMATORY DRUGS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-07-13 US disclosed
EP-1429756-A2 TREATMENT OF XANTHOMA WITH AZETIDINONE DERIVATIVES AS STEROL ABSORPTION INHIBITORS SCHERING CORPORATION (US) 2004-06-23 EP disclosed
EP-1182202-B1 AMINOMETHYLPYRROLIDINE DERIVATIVES HAVING AROMATIC SUBSTITUENTS DAIICHI SEIYAKU CO (JP) 2004-06-02 EP disclosed
WO-2003026643-A2 TREATMENT OF XANTHOMA WITH AZETIDINONE DERIVATIVES AS STEROL ABSORPTION INHIBITORS SCHERING CORPORATION (US) 2003-04-03 WO disclosed
EP-1182202-A1 AMINOMETHYLPYRROLIDINE DERIVATIVES HAVING AROMATIC SUBSTITUENTS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-02-27 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-20040209940-A1 Aminomethylpyrrolidine derivatives having aromatic substituents Q6ZSR9, NAT1, NAT10 KMT2A 630/4885MAPK1 1910/4885RAB9A 91/4885

“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.