SCHEMBL12417293

SCHEMBL12417293

Cn1nc(C(C)(F)F)c(-c2ccc(Br)cc2)c1NC(=O)Nc1ccc(F)cc1F

nearest known ligand 0.87

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.87
NPSR1 Q6W5P4 5/20 0.87
KDM4E B2RXH2 5/20 0.49
HTT P42858 1/20 0.49
MAPK1 P28482 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 4/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
HPGD P15428 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL12417294 0.94 MAPT (0.76) MAPTNPSR1KDM4EHTTMAPK1
SCHEMBL15107850 0.93 MAPT (1.00) MAPTNPSR1KDM4EHTTMAPK1
SCHEMBL12417291 0.89 MAPT (0.69) MAPTNPSR1KDM4EHTTMAPK1
SCHEMBL13845573 0.87 MAPT (0.88) MAPTNPSR1KDM4EHTTMAPK1
SCHEMBL12508077 0.82 MAPT (0.79) MAPTNPSR1KDM4EHTTMAPK1
SCHEMBL13845572 0.81 MAPT (0.79) MAPTNPSR1KDM4EMAPK1LMNA
SCHEMBL12417295 0.77 MAPT (0.76) MAPTNPSR1KDM4EHTTMAPK1
SCHEMBL15107847 0.70 MAPT (0.89) MAPTNPSR1KDM4EMAPK1LMNA
SCHEMBL13234488 0.69 KDM4E (0.71) MAPTKDM4EHTTLMNANPC1
SCHEMBL27193044 0.67 RAB9A (0.77) MAPTKDM4EHTTLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486987-B2 Mechanism-based small-molecule parasite inhibitors UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2013-07-16 US disclosed
US-20110172268-A1 MECHANISM-BASED SMALL-MOLECULE PARASITE INHIBITORS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2011-07-14 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-20110172268-A1 MECHANISM-BASED SMALL-MOLECULE PARASITE INHIBITORS SERPINB1, TFPI, CYP27A1 MAPT 4545/4885NPSR1 3883/4885KDM4E 3641/4885

“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.