SCHEMBL1420198

SCHEMBL1420198

Nc1cc(N2CCC(N3CCCC3)CC2)cc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 8/20 0.50
L3MBTL1 Q9Y468 8/20 0.50
ALDH1A1 P00352 2/20 0.47
MBTD1 Q05BQ5 4/20 0.46
ADRB1 P08588 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR7 P34969 1/20 0.42
FGFR1 P11362 1/20 0.41
FLT1 P17948 1/20 0.41
TP53BP1 Q12888 3/20 0.40
HRH3 Q9Y5N1 2/20 0.39
DPP4 P27487 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
NR2E1 Q9Y466 1/20 0.39
L3MBTL4 Q8NA19 1/20 0.39

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
SCHEMBL1603395 0.85 ADRB1 (0.53) L3MBTL1ALDH1A1ADRB1SMN1; SMN2DPP4
SCHEMBL15559068 0.83 ADRB1 (0.49) ALDH1A1ADRB1SMN1; SMN2DPP4FFAR4
SCHEMBL2051137 0.83 ADRB1 (0.51) L3MBTL1ALDH1A1ADRB1SMN1; SMN2DPP4
SCHEMBL12580680 0.83 L3MBTL3 (0.50) L3MBTL3L3MBTL1ALDH1A1MBTD1ADRB1
SCHEMBL20040866 0.82 ADRB1 (0.47) ALDH1A1ADRB1SMN1; SMN2DPP4FFAR4
SCHEMBL23113436 0.81 ADRB1 (0.53) L3MBTL1ALDH1A1ADRB1SMN1; SMN2DPP4
SCHEMBL16904561 0.81 ADRB1 (0.46) ALDH1A1ADRB1DPP4FFAR4NR2E1
SCHEMBL27508461 0.81 ADRB1 (0.46) ALDH1A1ADRB1DPP4FFAR4NR2E1
SCHEMBL1960861 0.81 L3MBTL3 (0.54) L3MBTL3L3MBTL1MBTD1FGFR1FLT1
SCHEMBL16180744 0.80 L3MBTL3 (0.48) L3MBTL3L3MBTL1ALDH1A1MBTD1SMN1; SMN2

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
US-20110144107-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA IRM LLC (BM) 2011-06-16 US disclosed
US-20110144107-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA IRM LLC (BM) 2011-06-16 US disclosed
US-20110144107-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA IRM LLC (BM) 2011-06-16 US disclosed
EP-2297097-A2 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA IRM LLC (BM) 2011-03-23 EP disclosed
WO-2009152356-A2 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA IRM LLC (BM) 2009-12-17 WO disclosed
WO-2009152356-A2 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA IRM LLC (BM) 2009-12-17 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-20110144107-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA G6PD, DHFR, SGMS1 L3MBTL3 3831/4885L3MBTL1 3493/4885ALDH1A1 1547/4885

“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.