SCHEMBL1420719

SCHEMBL1420719

CN1CCN(C2CCN(c3cc(C(=O)O)cc(C(F)(F)F)c3)CC2)CC1.[NaH]

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.44
DDR1 Q08345 2/20 0.42
FFAR4 Q5NUL3 3/20 0.41
CSF1R P07333 2/20 0.41
RAF1 P04049 1/20 0.41
LYN P07948 1/20 0.41
BRAF P15056 1/20 0.41
P2RY14 Q15391 1/20 0.40
LMNA P02545 1/20 0.40
HIF1A Q16665 1/20 0.39
ACVR1 Q04771 3/20 0.39
HTR7 P34969 1/20 0.39
NTRK2 Q16620 1/20 0.39
TACR1 P25103 1/20 0.39
SLC6A4 P31645 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
SCHEMBL12552677 0.99 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2DDR1FFAR4CSF1R
SCHEMBL1420647 0.89 L3MBTL3 (0.48) ALDH1A1FFAR4HTR7TACR1
SCHEMBL12552629 0.88 L3MBTL3 (0.49) ALDH1A1FFAR4HTR7TACR1
SCHEMBL1962802 0.87 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2DDR1FFAR4CSF1R
SCHEMBL12552649 0.87 USP2 (0.49) ALDH1A1SMN1; SMN2DDR1FFAR4TACR1
SCHEMBL12552645 0.87 L3MBTL3 (0.48) ALDH1A1FFAR4TACR1
SCHEMBL502328 0.86 DDR1 (0.49) ALDH1A1SMN1; SMN2DDR1FFAR4CSF1R
Hydrochloric Acid SCHEMBL397746 0.85 DDR1 (0.48) ALDH1A1SMN1; SMN2DDR1FFAR4CSF1R
SCHEMBL20577959 0.81 USP2 (0.56) SMN1; SMN2FFAR4CSF1R
SCHEMBL10104363 0.80 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2FFAR4ACVR1HTR7

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 3 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
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

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 ALDH1A1 1547/4885SMN1; SMN2 2609/4885DDR1 4834/4885

“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.