SCHEMBL63498

SCHEMBL63498

CN(C)C(=O)C(=O)NC12CCC(CC1)Cn1c2nc(C(=O)NCCc2ccccc2Cl)c(O)c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
POLB P06746 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
HIF1A Q16665 2/20 0.35
TP53 P04637 4/20 0.35
RIPK1 Q13546 1/20 0.35
CYP2C9 P11712 1/20 0.34
AKT3 Q9Y243 1/20 0.33
PDE4B Q07343 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
IL1B P01584 1/20 0.33
P2RX7 Q99572 1/20 0.33
GPR139 Q6DWJ6 1/20 0.32

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
SCHEMBL64254 0.89 CYP2C9 (0.38) MAPTPOLBHPGDKDM4EMEN1
SCHEMBL63901 0.88 CYP2C9 (0.38) MAPTKMT2ATP53CYP2C9SMN1; SMN2
SCHEMBL62746 0.87 ABCB1 (0.39) MEN1ALDH1A1GAAKMT2AHIF1A
SCHEMBL63505 0.86 L3MBTL1 (0.39) MAPTHPGDALDH1A1CYP2C9SMN1; SMN2
SCHEMBL63903 0.86 CYP2C9 (0.39) MAPTPOLBKDM4EGAACYP2C9
SCHEMBL62742 0.86 CYP2C9 (0.38) CYP2C9
SCHEMBL64282 0.85 CYP2C9 (0.39) HPGDALDH1A1TP53CYP2C9SMN1; SMN2
SCHEMBL64529 0.85 ALDH1A1 (0.41) MAPTPOLBHPGDMEN1ALDH1A1
SCHEMBL63906 0.85 ERCC1 (0.36) MAPTALDH1A1CYP2C9SMN1; SMN2
SCHEMBL63942 0.85 LIPG (0.39) CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280981-B1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-04-23 EP disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
WO-2009117540-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-24 WO 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-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG MAPT 2585/4885POLB 2/4885HPGD 1406/4885

“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.