SCHEMBL22636629

SCHEMBL22636629

Nc1cc(-c2ccns2)ccc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.46
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
HSP90AA1 P07900 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
NT5E P21589 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
SMARCA2 P51531 2/20 0.35

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
SCHEMBL29430749 1.00 TDO2 (0.46) TDO2ALDH1A1HSD17B10KDM4EMEN1
SCHEMBL22637066 0.85 CYP2A6 (0.43) TDO2ALDH1A1KDM4EMEN1CYP1A2
Hydrochloric Acid SCHEMBL29430606 0.84 CYP2A6 (0.42) TDO2ALDH1A1KDM4EMEN1CYP1A2
SCHEMBL29430608 0.84 TAAR1 (0.41) KDM4EMEN1MAPTKMT2ANT5E
SCHEMBL22636771 0.84 TAAR1 (0.41) KDM4EMEN1MAPTKMT2ANT5E
Hydrochloric Acid SCHEMBL22636809 0.84 CYP2A6 (0.42) TDO2ALDH1A1KDM4EMEN1CYP1A2
SCHEMBL22636978 0.82 PI4KA (0.39) TDO2ALDH1A1HSD17B10KDM4EMEN1
SCHEMBL22636585 0.80 KCNH2 (0.53) TDO2CYP3A4KCNH2
SCHEMBL22636672 0.77 CYP1A2 (0.36) ALDH1A1HSD17B10MEN1MAPTKMT2A
SCHEMBL6422894 0.76 CYP3A4 (0.47) TDO2ALDH1A1MEN1LMNAMAPT

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-20240366595-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS Grey Wolf Therapeutics Limited (GB) 2024-11-07 US disclosed
US-12023333-B2 Phenyl-sulfamoyl.benzoyc acids as ERAP1 modulators Grey Wolf Therapeutics Limited (GB) 2024-07-02 US disclosed
US-12023333-B2 Phenyl-sulfamoyl.benzoyc acids as ERAP1 modulators Grey Wolf Therapeutics Limited (GB) 2024-07-02 US disclosed
US-20220347176-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS Grey Wolf Therapeutics Limited (GB) 2022-11-03 US disclosed
WO-2020225569-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS Grey Wolf Therapeutics Limited (GB) 2020-11-12 WO disclosed
WO-2020225569-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS Grey Wolf Therapeutics Limited (GB) 2020-11-12 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 (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-20240366595-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS CHP1, ERAP1, QSOX1 TDO2 414/4885ALDH1A1 1477/4885HSD17B10 1014/4885
US-20220347176-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS ERAP1, CHP1, QSOX1 TDO2 338/4885ALDH1A1 1546/4885HSD17B10 921/4885
US-12023333-B2 Phenyl-sulfamoyl.benzoyc acids as ERAP1 modulators ERAP1, CHP1, QSOX1 TDO2 329/4885ALDH1A1 1431/4885HSD17B10 873/4885

“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.