SCHEMBL3096584

SCHEMBL3096584

NCCC(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.73
MAPT P10636 6/20 0.70
MEN1 O00255 4/20 0.70
KMT2A Q03164 4/20 0.70
L3MBTL1 Q9Y468 2/20 0.70
POLB P06746 1/20 0.70
RAB9A P51151 5/20 0.68
NPC1 O15118 4/20 0.68
LMNA P02545 4/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
ALDH1A1 P00352 6/20 0.66
KDM4E B2RXH2 3/20 0.66
CYP2C19 P33261 1/20 0.66
HIF1A Q16665 1/20 0.66
GAA P10253 1/20 0.62
TERT O14746 2/20 0.59
HDAC1 Q13547 2/20 0.59
HDAC2 Q92769 2/20 0.59
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57

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
SCHEMBL1913977 0.88 ALDH1A1 (0.73) CYP1A2MAPTMEN1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL4188904 0.86 ALDH1A1 (0.71) CYP1A2MAPTMEN1KMT2AL3MBTL1
SCHEMBL13990189 0.85 CYP1A2 (1.00) CYP1A2MAPTMEN1KMT2AL3MBTL1
SCHEMBL21294247 0.85 SMN1; SMN2 (0.80) CYP1A2MAPTMEN1KMT2AL3MBTL1
SCHEMBL31036037 0.85 SMN1; SMN2 (0.80) CYP1A2MAPTMEN1KMT2AL3MBTL1
SCHEMBL521958 0.82 MAPT (1.00) CYP1A2MAPTMEN1KMT2AL3MBTL1
SCHEMBL11710607 0.82 MAPT (0.74) CYP1A2MAPTMEN1KMT2AL3MBTL1
SCHEMBL11710601 0.82 MEN1 (0.74) CYP1A2MAPTMEN1KMT2AL3MBTL1
SCHEMBL28549583 0.82 CYP1A2 (0.72) CYP1A2MAPTMEN1KMT2AL3MBTL1
SCHEMBL28931481 0.82 RAB9A (0.91) CYP1A2MAPTMEN1KMT2AL3MBTL1

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
CN-101631874-B Medium for the detection and/or identification of bacteria BIOMERIEUX SA FR 2014-11-12 CN disclosed
US-8216802-B2 Detection medium for gram negative bacteria BIOMERIEUX (FR) 2012-07-10 US disclosed
US-7799810-B2 Organic compounds NOVARTIS AG (CH) 2010-09-21 US disclosed
US-20100120865-A1 Organic compounds NOVARTIS AG (CH) 2010-05-13 US disclosed
US-20100062466-A1 MEDIUM FOR THE DETECTION AND/OR IDENTIFICATION OF BACTERIA BIOMERIEUX (FR) 2010-03-11 US disclosed
CN-101631874-A Be used to detect and/or differentiate the medium of bacterium BIOMERIEUX SA 2010-01-20 CN disclosed
EP-2035413-A2 THIAZOLYL UREA DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS Novartis AG (CH) 2009-03-18 EP disclosed
WO-2008000421-A2 THIAZOLYL UREA DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-03 WO disclosed
CN-1262671-C Novel enzyme substrates for the detection of Pseudomonas aeruginosa, compositions containing them, and methods for detecting this species BIOMERIEUX SA (FR) 2006-07-05 CN disclosed
CN-1408026-A Novel enzyme substrates for the detection of Pseudomonas aeruginosa, compositions containing them, and methods for detecting this species BIOMERIEUX SA (FR) 2003-04-02 CN 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-20100120865-A1 Organic compounds PIK3C3, PIK3R3, PIK3R4 CYP1A2 1839/4885MAPT 1655/4885MEN1 2513/4885

“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.