SCHEMBL18908798

SCHEMBL18908798

CCSc1cccnc1-c1cc(C)c(O)nn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.36
KDM4E B2RXH2 6/20 0.36
HSD17B10 Q99714 5/20 0.36
HPGD P15428 4/20 0.36
MAPT P10636 3/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALOX15 P16050 1/20 0.33
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SLC1A2 P43004 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
HTT P42858 5/20 0.32
TP53 P04637 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
SCHEMBL18908812 0.84 ALDH1A1 (0.36) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL18908844 0.82 IL1B (0.35) ALDH1A1HSD17B10
SCHEMBL18908828 0.80 HSD17B10 (0.36) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL18908843 0.77 ALDH1A1 (0.37) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL17664524 0.75 HSD17B10 (0.35) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL30189427 0.75 CYP2A6 (0.43) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL18908830 0.74 SMN1; SMN2 (0.36) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL19454394 0.74 NPC1 (0.42) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL23730779 0.74 HTR2C (0.37) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL19404374 0.73 HSD17B10 (0.39) ALDH1A1KDM4EHSD17B10HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3202761-B1 PYRIDAZINE COMPOUND SUMITOMO CHEMICAL CO (JP) 2022-03-16 EP disclosed
US-9924719-B2 Pyridazine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-03-27 US disclosed
US-9924719-B2 Pyridazine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-03-27 US disclosed
US-20170295787-A1 PYRIDAZINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-19 US disclosed
US-20170295787-A1 PYRIDAZINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-19 US disclosed
EP-3202761-A1 PYRIDAZINE COMPOUND Sumitomo Chemical Company, Limited (JP) 2017-08-09 EP disclosed
WO-2017090655-A1 PEST CONTROL COMPOSITION AND USE THEREOF 住友化学株式会社 2017-06-01 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-20170295787-A1 PYRIDAZINE COMPOUND C5, C3AR1, H1-3 ALDH1A1 2061/4885KDM4E 3682/4885HSD17B10 2670/4885

“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.