SCHEMBL4199753

SCHEMBL4199753

COC(=O)c1nn(CCBr)c(C(=O)OC)c1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
HPGD P15428 1/20 0.47
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 5/20 0.40
KDM4E B2RXH2 2/20 0.40
PKM P14618 1/20 0.40
PTGES O14684 1/20 0.39
TP53 P04637 2/20 0.39
GAA P10253 1/20 0.38
NOTUM Q6P988 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 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
SCHEMBL4531800 0.93 LMNA (0.45) LMNAHPGDALDH1A1HSD17B10USP2
SCHEMBL4203845 0.85 LMNA (0.48) LMNAHPGDALDH1A1HSD17B10USP2
SCHEMBL13947733 0.84 LMNA (0.43) LMNAHPGDALDH1A1HSD17B10USP2
SCHEMBL4201664 0.83 PKM (0.41) LMNAHPGDALDH1A1TSHRCYP1A2
SCHEMBL26689978 0.78 LMNA (0.48) LMNAHPGDALDH1A1HSD17B10USP2
SCHEMBL26690011 0.78 HPGD (0.48) LMNAHPGDALDH1A1HSD17B10USP2
SCHEMBL4201423 0.76 PKM (0.39) ALDH1A1TSHRMAPTKDM4EPKM
SCHEMBL26690110 0.76 LMNA (0.44) LMNAHPGDALDH1A1HSD17B10USP2
SCHEMBL4202498 0.73 LMNA (0.43) LMNAHPGDALDH1A1HSD17B10USP2
SCHEMBL4192916 0.73 KMT2A (0.47) LMNAHPGDALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011041512-A2 COMPOSITIONS AND METHODS FOR TREATING MLV-INFECTION, AND PREVENTING AND TREATING MLV-INITIATED DISEASES EMORY UNIVERSITY (US) 2011-04-07 WO disclosed
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-7476666-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-01-13 US 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
US-20080015187-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-17 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 LMNA 3087/4885HPGD 2589/4885ALDH1A1 3490/4885

“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.