SCHEMBL406265

SCHEMBL406265

Cc1ccc(N)c(C#N)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.37
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
ALDH1A1 P00352 4/20 0.33
TDP1 Q9NUW8 3/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GRM6 O15303 1/20 0.33
CYP3A4 P08684 2/20 0.32
CASP1 P29466 1/20 0.32
TSHR P16473 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL14051608 0.82 CYP1A2 (0.39) KDM4EALDH1A1MAPTHPGDALOX15
SCHEMBL16136624 0.78 TRPV4 (0.37) KDM4EGAAGFERALDH1A1TDP1
SCHEMBL29196717 0.78 TRPV4 (0.37) GAAGFERALDH1A1LMNADYRK1A
SCHEMBL7545867 0.78 KDM4E (0.39) KDM4EALDH1A1TDP1LMNAMAPT
SCHEMBL1622094 0.78 KDM4E (0.39) KDM4EALDH1A1TDP1LMNAMAPT
SCHEMBL660639 0.75 KDM1A (0.32) TDP1NPSR1MEN1KMT2A
SCHEMBL30937096 0.75 PRKACA (0.40) KDM4EALDH1A1TDP1LMNAMAPT
SCHEMBL21811303 0.75 IL4 (0.38) KDM4EGAAALDH1A1TDP1MAPT
SCHEMBL14837971 0.75 EPAS1 (0.31) ALDH1A1LMNA
SCHEMBL12968329 0.75 PRKACA (0.34) KDM4EGAAALDH1A1MAPTHPGD

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 KDM4E 1897/4885GAA 3072/4885GFER 454/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 KDM4E 1897/4885GAA 3072/4885GFER 454/4885

“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.