SCHEMBL900656

SCHEMBL900656

Cc1nc2c(-c3ccccc3OC(F)(F)F)cccc2s1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.49
HSD11B1 P28845 1/20 0.42
F2RL3 Q96RI0 2/20 0.40
S1PR1 P21453 2/20 0.39
MPL P40238 1/20 0.39
KCNN4 O15554 1/20 0.38
PDE2A O00408 1/20 0.38
PDE10A Q9Y233 1/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TRPA1 O75762 1/20 0.38
ABL1 P00519 1/20 0.38

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
SCHEMBL900653 0.80 F2RL3 (0.47) SCN9AHSD11B1F2RL3S1PR1
SCHEMBL900782 0.78 HSD11B1 (0.44) HSD11B1F2RL3MPLTRPA1
SCHEMBL901023 0.74 ENPP1 (0.41) SCN9AHSD11B1S1PR1
SCHEMBL900654 0.74 SCN9A (0.40) SCN9AS1PR1
SCHEMBL18364916 0.73 ALDH1A1 (0.49) F2RL3
SCHEMBL906903 0.73 SMN1; SMN2 (0.50) PDE10ANPSR1
SCHEMBL7701143 0.73 ALDH1A1 (0.50) SCN9AHSD11B1S1PR1MPLKCNN4
SCHEMBL900791 0.72 ALOX5 (0.43)
SCHEMBL4846110 0.71 ENPP1 (0.44)
SCHEMBL3123406 0.71 ALDH1A1 (0.67) POLBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029357-B2 Benzazole derivatives as histamine H4 receptor ligands BIOPROJET (FR) 2015-05-12 US disclosed
US-20150004181-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands BIOPROJET SOC CIV (FR) 2015-01-01 US disclosed
US-8802664-B2 Benzazole derivatives as histamine H4 receptor ligands BIOPROJECT (FR) 2014-08-12 US disclosed
US-20130231329-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands BIOPROJET (FR) 2013-09-05 US disclosed
EP-2621916-A1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET (FR) 2013-08-07 EP disclosed
WO-2012041860-A1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET (FR) 2012-04-05 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 (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-20150004181-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands HRH4, HRH3, HRH2 SCN9A 2386/4885HSD11B1 3992/4885F2RL3 27/4885
US-20130231329-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands HRH4, HRH3, HRH2 SCN9A 1398/4885HSD11B1 2587/4885F2RL3 40/4885

“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.