SCHEMBL4484029

SCHEMBL4484029

COC(=O)Nc1ccc(-n2c(C(=O)N(C)C)c3c(c(O)c2=O)C(=O)N(Cc2ccc(F)c(Cl)c2)CC3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
KCNH2 Q12809 2/20 0.34
SCD O00767 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
FSCN1 Q16658 1/20 0.32
P2RX7 Q99572 1/20 0.32
TSHR P16473 1/20 0.31
METAP2 P50579 1/20 0.31
CCR2 P41597 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL4486203 0.93 METAP2 (0.38) OPRM1OPRD1KCNH2SMN1; SMN2MEN1
SCHEMBL4486218 0.90 P2RX7 (0.31) SMN1; SMN2MAPTTP53P2RX7AKR1B1
SCHEMBL4484242 0.90 MEN1 (0.35) KCNH2SMN1; SMN2MEN1KMT2AHTT
SCHEMBL4486216 0.89 P2RX7 (0.32) MEN1KMT2AHTTLMNAFSCN1
SCHEMBL4480516 0.89 LMNA (0.35) SMN1; SMN2MEN1KMT2AHTTLMNA
SCHEMBL4484250 0.89 PDK1 (0.34) KCNH2AKR1B1
SCHEMBL4486280 0.88 METAP2 (0.35) MAPTMETAP2
SCHEMBL4484284 0.88 HDAC1 (0.31) FSCN1AKR1B1
SCHEMBL4480319 0.88 AKR1B1 (0.35) SMN1; SMN2LMNAFSCN1AKR1B1
SCHEMBL4489427 0.87 AKR1B1 (0.33) KCNH2MAPTTP53AKR1B1

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 5 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
US-7598264-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-10-06 US disclosed
US-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 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-20070179196-A1 Hiv integrase inhibitors REV1, TYMP, POLR2H OPRM1 1478/4885OPRD1 396/4885KCNH2 2596/4885

“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.