SCHEMBL463585

SCHEMBL463585

CCOC(=O)C(=O)N/C(C)=N\Nc1cc(Br)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.44
ALDH1A1 P00352 7/20 0.44
LMNA P02545 6/20 0.44
MAPK1 P28482 5/20 0.44
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
TDP1 Q9NUW8 3/20 0.43
KMT2A Q03164 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
POLB P06746 2/20 0.38
HPGD P15428 2/20 0.38
GALR2 O43603 1/20 0.38
MITF O75030 1/20 0.38
HSP90AA1 P07900 1/20 0.38
XBP1 P17861 1/20 0.38
CCR6 P51684 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 2/20 0.37
AKR1B1 P15121 1/20 0.37

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
SCHEMBL438297 0.79 MAPT (0.48) MAPTALDH1A1LMNAMAPK1GAA
SCHEMBL462767 0.76 MAPT (0.41) MAPTALDH1A1LMNAMAPK1GAA
SCHEMBL28898896 0.75 MAPT (0.47) MAPTALDH1A1LMNAMAPK1GAA
SCHEMBL28844792 0.73 MAPT (0.44) MAPTALDH1A1LMNAGAATDP1
SCHEMBL8197126 0.72 LMNA (0.59) MAPTALDH1A1LMNAMAPK1GAA
SCHEMBL2656855 0.70 MAPT (0.56) MAPTALDH1A1LMNAMAPK1GAA
SCHEMBL1278183 0.70 MAPT (0.56) MAPTALDH1A1LMNAMAPK1GAA
SCHEMBL9073036 0.70 MAPT (0.56) MAPTALDH1A1LMNAMAPK1GAA
SCHEMBL1278182 0.70 MAPT (0.56) MAPTALDH1A1LMNAMAPK1GAA
SCHEMBL1633834 0.70 MAPT (0.56) MAPTALDH1A1LMNAMAPK1GAA

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 4 patents. 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
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 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 (3 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-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 MAPT 2336/4885ALDH1A1 1909/4885LMNA 4599/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 MAPT 2336/4885ALDH1A1 1909/4885LMNA 4599/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 MAPT 2336/4885ALDH1A1 1909/4885LMNA 4599/4885

“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.