SCHEMBL3115155

SCHEMBL3115155

[NH]Cc1nc2ccccc2s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2T Q9NPD8 1/20 0.66
ASIC3 Q9UHC3 1/20 0.66
SMN1; SMN2 Q16637 7/20 0.56
RAB9A P51151 6/20 0.56
NPC1 O15118 5/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MAPK1 P28482 1/20 0.56
MAPT P10636 4/20 0.53
HTT P42858 2/20 0.51
CYP1A2 P05177 2/20 0.51
ALOX15 P16050 1/20 0.51
CYP2C19 P33261 1/20 0.51
PDE10A Q9Y233 1/20 0.51
KMT2A Q03164 4/20 0.50
HPGD P15428 3/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 1/20 0.50
PKM P14618 1/20 0.50
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL226465 0.83 UBE2T (0.70) UBE2TASIC3SMN1; SMN2RAB9ANPC1
SCHEMBL19372016 0.83 UBE2T (0.70) UBE2TASIC3SMN1; SMN2RAB9ANPC1
Bromide SCHEMBL7601035 0.81 UBE2T (0.68) UBE2TASIC3SMN1; SMN2RAB9ANPC1
SCHEMBL5401254 0.80 MAPT (0.58) UBE2TASIC3SMN1; SMN2RAB9ANPC1
SCHEMBL244156 0.79 UBE2T (0.66) UBE2TASIC3SMN1; SMN2RAB9ANPC1
SCHEMBL16397518 0.79 UBE2T (0.66) UBE2TASIC3SMN1; SMN2RAB9ANPC1
Fluoride SCHEMBL7600822 0.79 UBE2T (0.66) UBE2TASIC3SMN1; SMN2RAB9ANPC1
SCHEMBL244157 0.79 UBE2T (0.66) UBE2TASIC3SMN1; SMN2RAB9ANPC1
SCHEMBL2791997 0.79 UBE2T (0.66) UBE2TASIC3SMN1; SMN2RAB9ANPC1
SCHEMBL2205875 0.79 UBE2T (0.66) UBE2TASIC3SMN1; SMN2RAB9ANPC1

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1412328-B1 DOLASTATIN 10 DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-10-04 EP claimed
EP-1435352-A2 9-[(Substituted glycyl)amido]-6-(substituted)-5-hydroxy-6-deoxytetracyclines Wyeth Holdings Corporation (US) 2004-07-07 EP claimed
US-6737409-B2 FOR CANCER THERAPY HOFFMANN-LA ROCHE INC. 2004-05-18 US claimed
EP-1412328-A1 DOLASTATIN 10 DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2004-04-28 EP claimed
US-20030055002-A1 Dolastatin 10 derivatives HOFFMANN-LA ROCHE INC. 2003-03-20 US claimed
WO-2003008378-A1 DOLASTATIN 10 DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2003-01-30 WO claimed
EP-0582789-B1 Novel 7-(substituted)-8-(substituted)-9-(substituted glycyl)amido-6-demethyl-6-deoxytetracyclines AMERICAN CYANAMID CO (US) 2001-10-04 EP claimed
EP-0582829-B1 9-[(substituted glycyl)amido]-6-demethyl-6-deoxytetracyclines as antibiotic agents AMERICAN CYANAMID CO (US) 2001-09-12 EP claimed
EP-0582788-B1 7-(Substituted)-9- (substituted glycyl)-amido)-6-demethyl-6-deoxytetracyclines AMERICAN CYANAMID CO (US) 1998-07-29 EP claimed
US-5567692-A CONTROLLING BACTERIA INFECTIONS AMERICAN CYANAMID COMPANY (US) 1996-10-22 US claimed
US-5495031-A Process for the production of 7-(substituted)-9-[(substituted glycyl)amido]-6-demethyl-6-deoxytetracyclines AMERICAN CYANAMID COMPANY (US) 1996-02-27 US claimed
US-5466684-A 7-(substituted)-9-[(substituted glycyl)amido]-6-demethyl-6-deoxytetracyclines AMERICAN CYANAMID COMPANY (US) 1995-11-14 US claimed
US-5442059-A Antibiotics for mammalian and veterninary diseases AMERICAN CYANAMID COMPANY (US) 1995-08-15 US claimed
US-5420272-A 7-(substituted)-8-(substituted)-9-](substituted glycyl)amido]-6-demethyl-6-deoxytetracyclines AMERICAN CYANAMID COMPANY (US) 1995-05-30 US claimed
EP-0618190-A1 9-[(Substituted glycyl)amido]-6-(substituted)-5-hydroxy-6-deoxytetracyclines AMERICAN CYANAMID COMPANY (US) 1994-10-05 EP claimed
US-5328902-A Antibiotics AMERICAN CYANAMID CO. (US) 1994-07-12 US claimed
EP-0582789-A1 Novel 7-(substituted)-8-(substituted)-9- (substituted glycyl)amido -6-demethyl-6-deoxytetracyclines AMERICAN CYANAMID COMPANY (US) 1994-02-16 EP claimed
EP-0582788-A1 7-(Substituted)-9- (substituted glycyl)-amido)-6-demethyl-6-deoxytetracyclines AMERICAN CYANAMID COMPANY (US) 1994-02-16 EP claimed
US-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
EP-0582788-A1 7-(Substituted)-9- (substituted glycyl)-amido)-6-demethyl-6-deoxytetracyclines AMERICAN CYANAMID COMPANY (US) 1994-02-16 EP 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-20030055002-A1 Dolastatin 10 derivatives DAD1, DDOST, NPC1 UBE2T 4333/4885ASIC3 3814/4885SMN1; SMN2 4012/4885

“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.