SCHEMBL5212065

SCHEMBL5212065

Cc1nc2ccccc2c2ccc(Cl)cc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.66
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 2/20 0.50
HPGD P15428 1/20 0.50
NUDT1 P36639 1/20 0.50
HSD17B10 Q99714 1/20 0.50
FABP3 P05413 1/20 0.49
FABP4 P15090 1/20 0.49
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
MAT2A P31153 1/20 0.47
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
KDM4E B2RXH2 2/20 0.46
MPO P05164 1/20 0.45
PLA2G2A P14555 1/20 0.45
POLB P06746 1/20 0.43
HCRTR1 O43613 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43

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
SCHEMBL30659937 1.00 GPR3 (0.66) GPR3ALDH1A1CYP1A2HPGDNUDT1
SCHEMBL21244207 0.93 GPR3 (0.66) GPR3ALDH1A1CYP1A2HPGDNUDT1
SCHEMBL5213888 0.87 GPR3 (0.62) GPR3ALDH1A1CYP1A2HPGDNUDT1
SCHEMBL21244190 0.87 GPR3 (0.62) GPR3ALDH1A1CYP1A2HPGDNUDT1
SCHEMBL3259024 0.81 GPR3 (0.70) GPR3ALDH1A1CYP1A2HPGDNUDT1
SCHEMBL30659916 0.81 HSP90AB1 (0.51) ALDH1A1HSD17B10FABP3FABP4MAPT
SCHEMBL29071045 0.81 HSP90AB1 (0.51) ALDH1A1HSD17B10FABP3FABP4MAPT
SCHEMBL85621 0.80 GPR3 (1.00) GPR3ALDH1A1CYP1A2HPGDNUDT1
SCHEMBL71734 0.79 CLK1 (0.51) ALDH1A1HPGDHSD17B10MAOAMAOB
SCHEMBL18771828 0.79 GPR3 (0.66) GPR3ALDH1A1CYP1A2HPGDNUDT1

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
EP-1567502-B1 SUBSTITUTED DIHYDROPHENANTHRIDINESUL FONAMIDES WYETH CORP (US) 2007-08-22 EP disclosed
CN-1720231-A Substituted dihydrophenanthridinesulfonamides WYETH CORP (US) 2006-01-11 CN disclosed
EP-1567502-A1 SUBSTITUTED DIHYDROPHENANTHRIDINESUL FONAMIDES Wyeth (US) 2005-08-31 EP disclosed
US-6894061-B2 Substituted dihydrophenanthridinesulfonamides WYETH (US) 2005-05-17 US disclosed
US-20040167155-A1 Substituted dihydrophenanthridinesulfonamides WYETH 2004-08-26 US disclosed
WO-2004050631-A1 SUBSTITUTED DIHYDROPHENANTHRIDINESUL FONAMIDES WYETH (US) 2004-06-17 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-20040167155-A1 Substituted dihydrophenanthridinesulfonamides TNNT2, TNNI3, SIRT5 GPR3 2395/4885ALDH1A1 1166/4885CYP1A2 2903/4885

“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.