SCHEMBL5445007

SCHEMBL5445007

CN(C)C(=O)c1c2c(c(O)c(=O)n1C)C(=O)N(Cc1cccc(Cl)c1)CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
P2RX7 Q99572 1/20 0.39
KMT2A Q03164 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
MAOB P27338 1/20 0.38
ADORA2A P29274 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
KCNH2 Q12809 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
TP53 P04637 4/20 0.36
TSHR P16473 2/20 0.35
ALOX15 P16050 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35

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
SCHEMBL5446694 0.91 MAOB (0.35) MAPTMAOBADORA2AALDH1A1KCNH2
SCHEMBL5446724 0.90 SMN1; SMN2 (0.42) MAPTKMT2AMAOBALDH1A1EGLN1
SCHEMBL5450208 0.89 EGLN1 (0.37) P2RX7KMT2AMAOBALDH1A1EGLN1
SCHEMBL5445492 0.89 KMT2A (0.40) CYP2C9CYP2C19KMT2AALDH1A1EGLN1
SCHEMBL5437380 0.88 CENPE (0.38) CYP2C9CYP2C19MAOBALDH1A1DRD3
SCHEMBL4479511 0.87 AKR1B1 (0.36) MAOBKCNH2MAPK1
SCHEMBL5456052 0.87 PKM (0.43) KMT2AEGLN1PTGER4
SCHEMBL5446606 0.87 WDR5 (0.36) MAPTKMT2AALDH1A1EGLN1
SCHEMBL5438070 0.86 PSEN1 (0.50) MAPTKMT2AALDH1A1DRD2DRD3
SCHEMBL4488414 0.86 AKR1B1 (0.35) MAOBKCNH2PSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 US claimed
EP-1725556-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-11-29 EP claimed
WO-2005087768-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-09-22 WO claimed

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-20070179196-A1 Hiv integrase inhibitors REV1, TYMP, POLR2H MAPT 2916/4885CYP2C9 1693/4885CYP2C19 2081/4885

“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.