SCHEMBL4056258

SCHEMBL4056258

COC(=O)c1nn2c(c1OCc1ccccc1)C(=O)N(C(C=O)N1CCOCC1)CC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM33 Q9BZ11 1/20 0.37
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 2/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
APP P05067 1/20 0.35
MAPT P10636 3/20 0.34
PKM P14618 1/20 0.34
HSD17B10 Q99714 2/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
NMT2 O60551 1/20 0.33

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
SCHEMBL4054918 0.80 ALDH1A1 (0.32) ALDH1A1KDM4EMAPK1
SCHEMBL4056252 0.79 NPSR1 (0.41) HPGDALDH1A1KDM4EMAPK1MEN1
SCHEMBL4196385 0.78 LMNA (0.44) HPGDLMNAALDH1A1KMT2ASMN1; SMN2
SCHEMBL4049801 0.72 MEN1 (0.55) HPGDLMNAALDH1A1MEN1KMT2A
SCHEMBL4198610 0.72 USP2 (0.44) HPGDLMNAALDH1A1KMT2ASMN1; SMN2
SCHEMBL4198898 0.70 MEN1 (0.43) LMNAALDH1A1KDM4EMAPK1MEN1
SCHEMBL4199689 0.70 USP2 (0.43) HPGDLMNAALDH1A1KMT2ASMN1; SMN2
SCHEMBL4202996 0.70 LMNA (0.42) HPGDLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL4201415 0.69 MEN1 (0.48) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4196395 0.69 GRM5 (0.42) HPGDLMNAALDH1A1KDM4EMAPK1

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
EP-1758585-A4 HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2009-07-22 EP disclosed
US-7476666-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-01-13 US disclosed
US-20080015187-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-17 US disclosed
EP-1758585-A2 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2007-03-07 EP disclosed
WO-2005120516-A2 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-12-22 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-20080015187-A1 Hiv Integrase Inhibitors REV1, ZC3HAV1, PNP ADAM33 1559/4885PIK3CA 176/4885PIK3CB 428/4885

“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.