SCHEMBL13736982

SCHEMBL13736982

Cn1nc(-c2ccc(I)cc2)c(Cl)c1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.44
MAPT P10636 3/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
BRCA1 P38398 1/20 0.43
HTT P42858 1/20 0.43
CASP7 P55210 1/20 0.43
KMT2A Q03164 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NR1H2 P55055 2/20 0.42
NR1H3 Q13133 2/20 0.42
NPSR1 Q6W5P4 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
PTGER1 P34995 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
SCHEMBL13736647 0.90 RECQL (0.51) RECQLMAPTMEN1MAPK1CASP1
SCHEMBL13738541 0.85 TDP1 (0.51) RECQLMAPTMEN1MAPK1CASP1
SCHEMBL13736773 0.84 RECQL (0.39) RECQLMAPTMEN1MAPK1CASP1
SCHEMBL13738455 0.84 MAPT (0.45) RECQLMAPTMEN1MAPK1CASP1
SCHEMBL13739115 0.81 ALDH1A1 (0.55) MAPTMEN1HTTKMT2ANPSR1
SCHEMBL13737804 0.80 KDM4E (0.49) RECQLMAPTMEN1KMT2ANR1H2
SCHEMBL15661872 0.80 RECQL (0.41) RECQLMAPTMEN1MAPK1CASP1
SCHEMBL13826277 0.77 GRM5 (0.41) RECQLMAPTMEN1MAPK1CASP1
SCHEMBL13737201 0.76 RECQL (0.43) RECQLMAPTMEN1MAPK1CASP1
SCHEMBL13738449 0.76 TP53 (0.43) RECQLMAPTMEN1MAPK1CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170143718-A1 PYRAZOLOPYRIDAZINES AND METHODS FOR TREATING RETINAL-DEGENERATIVE DISEASES AND HEARING LOSS ASSOCIATED WITH USHER SYNDROME BIOFOCUS DPI LTD. (GB) 2017-05-25 US disclosed
EP-2701510-A1 PYRAZOLOPYRIDAZINES AND METHODS FOR TREATING RETINAL-DEGENERATIVE DISEASES AND HEARING LOSS ASSOCIATED WITH USHER SYNDROME Usher III Initiative (US) 2014-03-05 EP disclosed
WO-2012148994-A1 PYRAZOLOPYRIDAZINES AND METHODS FOR TREATING RETINAL-DEGENERATIVE DISEASES AND HEARING LOSS ASSOCIATED WITH USHER SYNDROME USHER III INITIATIVE (US) 2012-11-01 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 (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-20170143718-A1 PYRAZOLOPYRIDAZINES AND METHODS FOR TREATING RETINAL-DEGENERATIVE DISEASES AND HEARING LOSS ASSOCIATED WITH USHER SYNDROME ALDH1A2, ALDH1A3, NR2E3 RECQL 120/4885MAPT 830/4885MEN1 2977/4885

“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.