SCHEMBL462862

SCHEMBL462862

CCOC(=O)Cc1cc(C(F)F)ccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
LMNA P02545 5/20 0.42
KDM4E B2RXH2 2/20 0.42
PDGFRB P09619 1/20 0.41
FGFR1 P11362 1/20 0.41
PDGFRA P16234 1/20 0.41
FLT1 P17948 1/20 0.41
FGFR3 P22607 1/20 0.41
KDR P35968 1/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 4/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 2/20 0.39
GALR2 O43603 1/20 0.39
MITF O75030 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HPGD P15428 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
SCHEMBL10473975 0.83 MAPT (0.50) MAPTLMNAKDM4EPDGFRBFGFR1
SCHEMBL406358 0.82 MAPT (0.51) MAPTLMNAKDM4EPDGFRBFGFR1
SCHEMBL28941074 0.81 EGFR (0.51) MAPTLMNAKDM4EPDGFRBFGFR1
SCHEMBL406584 0.80 KMT2A (0.53) MAPTLMNAPDGFRBFGFR1PDGFRA
SCHEMBL406784 0.80 MEN1 (0.47) MAPTLMNAKDM4EPDGFRBFGFR1
SCHEMBL29500906 0.80 MEN1 (0.47) MAPTLMNAKDM4EPDGFRBFGFR1
SCHEMBL12246125 0.80 LMNA (0.46) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL14334021 0.79 MAPT (0.56) MAPTLMNAPDGFRBFGFR1PDGFRA
SCHEMBL29848981 0.79 ALDH1A1 (0.52) MAPTLMNAPDGFRBFGFR1PDGFRA
SCHEMBL19783798 0.79 ALDH1A1 (0.52) MAPTLMNAPDGFRBFGFR1PDGFRA

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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 MAPT 2336/4885LMNA 4599/4885KDM4E 1897/4885

“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.