SCHEMBL1420423

SCHEMBL1420423

O=C(NCc1cccc(C(F)(F)F)c1)c1cc(N2CCC(N3CCCC3)CC2)cc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ PLA2G1B P04054 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ ATG4B Q9Y4P1 1/20 0.53
▸ MLYCD O95822 1/20 0.51
▸ CCR2 P41597 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ KCNH2 Q12809 1/20 0.50
▸ TRPV4 Q9HBA0 1/20 0.49
▸ DDR1 Q08345 2/20 0.49
▸ HRH3 Q9Y5N1 1/20 0.48
▸ CHRM3 P20309 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ MAPK14 Q16539 1/20 0.47

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
SCHEMBL1420819 0.83 NPY2R (0.53) KMT2AMEN1KDM4ETRPV4
SCHEMBL1420450 0.83 NPY2R (0.54) KMT2AMEN1TRPV4
SCHEMBL1420212 0.82 NPY2R (0.47) KMT2AMEN1GAACCR2KDM4E
SCHEMBL1420008 0.81 DDR1 (0.50) KMT2AMEN1CCR2KCNH2DDR1
SCHEMBL1420507 0.81 ALDH1A1 (0.49) GAAKDM4EHRH3
SCHEMBL1420274 0.80 P2RX1 (0.59) TDP1CCR2KCNH2MAPK14
SCHEMBL1420187 0.80 TACR1 (0.50) CCR2KCNH2TRPV4
SCHEMBL1420117 0.79 LMNA (0.49) TDP1CCR2KCNH2TRPV4
SCHEMBL1420075 0.79 L3MBTL1 (0.65) KMT2AMEN1GAATSHR
SCHEMBL24183601 0.78 TRPV4 (0.51) KMT2AKDM4ETRPV4HRH3TSHR

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 8 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
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 KMT2A 3409/4885MEN1 837/4885PLA2G1B 1370/4885

“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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