SCHEMBL1941807

SCHEMBL1941807

COc1cc(CCl)cc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.49
NQO1 P15559 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SMPD1 P17405 1/20 0.40
THRB P10828 1/20 0.39
PTAFR P25105 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALOX15 P16050 1/20 0.38

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
SCHEMBL1941564 0.86 PKM (0.48) NQO1MAPTALDH1A1NPSR1ALOX15
SCHEMBL24510994 0.84 PTGS2 (0.52) NQO1MAPTALDH1A1NPSR1LMNA
SCHEMBL15345666 0.82 HTR2A (0.46) NQO1MAPTALDH1A1NPSR1LMNA
SCHEMBL6615163 0.79 NQO1 (0.43) NQO1L3MBTL1MAPTALDH1A1NPSR1
SCHEMBL11741652 0.79 NQO1 (0.43) NQO1MAPTALDH1A1NPSR1LMNA
SCHEMBL6041292 0.79 TTR (0.45) TTRNQO1ALDH1A1LMNAHPGD
SCHEMBL6041334 0.78 MRGPRX4 (0.47) L3MBTL1MAPTALDH1A1NPSR1LMNA
SCHEMBL11478661 0.76 HPGD (0.48) L3MBTL1MAPTALDH1A1NPSR1HPGD
Hydrochloric Acid SCHEMBL5962932 0.76 HTR2A (0.53)
SCHEMBL8197756 0.75 NQO1 (0.54) NQO1MAPTALDH1A1NPSR1LMNA

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-1175400-B1 RENIN INHIBITORS HOFFMANN LA ROCHE (CH) 2011-06-15 EP disclosed
US-6673931-B2 (4-(4-(3-(2-METHOXY-BENZYLOXY)-PROPOXY)-PHENYL)-5-(4-METHOXY -NAPHTHALEN-2-YLMETHOXY)-PIPERIDIN-3-YL)-METHANOL FOR EXAMPLE; USE TREATING RESTENOSIS, GLAUCOMA, CARDIAC AND KIDNEY INSUFFICIENCY HOFFMAN-LA ROCHE INC. 2004-01-06 US disclosed
US-20020087002-A1 Naphthalenyl piperidines as renin inhibitors NOVARTIS AG (CH) 2002-07-04 US disclosed
US-6376672-B1 RESTENOSIS; VISION DEFECTS; CARDIOVASCULAR DISORDERS; KIDNEY DIEASES HOFFMANN-LA ROCHE INC. 2002-04-23 US disclosed
EP-1175400-A1 RENIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-30 EP disclosed
WO-2000064873-A1 RENIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2000-11-02 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-20020087002-A1 Naphthalenyl piperidines as renin inhibitors REN, TNNI3, PTGIS TTR 3361/4885NQO1 240/4885L3MBTL1 3436/4885

“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.