SCHEMBL1420131

SCHEMBL1420131

O=C(Nc1cccc(Cl)c1)c1cnc(N2CCC(N3CCCC3)CC2)nc1C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ATF1 P18846 2/20 0.67
▸ NFKB1 P19838 2/20 0.67
▸ CNR2 P34972 10/20 0.51
▸ CYP3A4 P08684 5/20 0.51
▸ CYP2C9 P11712 5/20 0.51
▸ CYP2C19 P33261 5/20 0.51
▸ CYP1A2 P05177 3/20 0.51
▸ CYP2D6 P10635 3/20 0.51
▸ PTPN11 Q06124 2/20 0.51
▸ TP53 P04637 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ XPO1 O14980 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ NPY2R P49146 1/20 0.45

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
SCHEMBL1420170 0.90 ATF1 (0.58) ATF1NFKB1PTPN11LMNANPY2R
SCHEMBL12552982 0.89 ATF1 (0.57) ATF1NFKB1CYP3A4CYP2C9CYP2C19
SCHEMBL12553073 0.78 ATF1 (0.52) ATF1NFKB1CNR2CYP2C9CYP2C19
SCHEMBL1420557 0.77 USP2 (0.50) LMNANPY2R
SCHEMBL1420086 0.76 NPY2R (0.47) LMNANPY2R
SCHEMBL12580771 0.75 MCHR1 (0.45) LMNANPY2R
SCHEMBL1420605 0.75 NPY2R (0.51) NPY2R
SCHEMBL1420411 0.75 NPY2R (0.52) NPY2R
SCHEMBL1420046 0.74 SMN1; SMN2 (0.50) TP53MAPTLMNA
SCHEMBL1420185 0.73 NPC1 (0.60) MAPTLMNA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011524365-A — — 2011-09-01 — — JP claimed
US-20110144107-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA IRM LLC (BM) 2011-06-16 — — US claimed
EP-2297097-A2 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA IRM LLC (BM) 2011-03-23 — — EP claimed
WO-2009152356-A2 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA IRM LLC (BM) 2009-12-17 — — WO claimed
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

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 ATF1 3628/4885NFKB1 2024/4885CNR2 3427/4885

“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.

Send feedback