SCHEMBL12580771

SCHEMBL12580771

C=C(C)c1cc(C(=O)Nc2cccc(Cl)c2)nc(N2CCC(N3CCCC3)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 3/20 0.45
▸ KCNH2 Q12809 2/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ ALPL P05186 1/20 0.44
▸ ALPI P09923 1/20 0.44
▸ ALPG P10696 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ NPY2R P49146 4/20 0.44
▸ MEN1 O00255 2/20 0.42
▸ RECQL P46063 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ CCR2 P41597 1/20 0.41

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
SCHEMBL1420557 0.89 USP2 (0.50) MCHR1KCNH2HRH3KMT2AALPL
SCHEMBL12580941 0.87 NPY2R (0.54) KMT2AALDH1A1TSHRNPY2RMEN1
SCHEMBL1420086 0.86 NPY2R (0.47) MCHR1KCNH2HRH3KMT2AALPL
SCHEMBL1420131 0.75 ATF1 (0.67) NPY2RLMNA
SCHEMBL1420185 0.75 NPC1 (0.60) KMT2AALPLALPIALPGALDH1A1
SCHEMBL1420576 0.75 NPY2R (0.56) KMT2AALDH1A1TSHRNPY2RMEN1
SCHEMBL1420046 0.74 SMN1; SMN2 (0.50) KMT2AALPLALPIALPGALDH1A1
SCHEMBL1420605 0.70 NPY2R (0.51) MCHR1KMT2AALPLALPIALPG
SCHEMBL1420411 0.69 NPY2R (0.52) MCHR1TDP1NPY2R
SCHEMBL14503011 0.67 GBA1 (0.56) KMT2AMEN1NPSR1LMNA

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 1 patent. 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

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 MCHR1 1844/4885KCNH2 2529/4885HRH3 1678/4885

“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.

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