SCHEMBL1646406

SCHEMBL1646406

Nc1cc2c(cc1O)CCC2

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.91
MAPT P10636 3/20 0.91
KDM4E B2RXH2 2/20 0.91
MEN1 O00255 1/20 0.91
GAA P10253 1/20 0.91
PKM P14618 1/20 0.91
KMT2A Q03164 1/20 0.91
L3MBTL1 Q9Y468 1/20 0.91
DRD1 P21728 2/20 0.47
DRD2 P14416 1/20 0.47
DRD5 P21918 1/20 0.47
ADCY6 O43306 1/20 0.41
ADCY3 O60266 1/20 0.41
ADCY9 O60503 1/20 0.41
ADCY5 O95622 1/20 0.41
ADCY8 P40145 1/20 0.41
ADCY7 P51828 1/20 0.41
ADCY2 Q08462 1/20 0.41
ADCY1 Q08828 1/20 0.41
ADCY4 Q8NFM4 1/20 0.41

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
SCHEMBL399808 0.95 MAPT (1.00) ALDH1A1MAPTKDM4EMEN1GAA
Bromide SCHEMBL10683199 0.93 MAPT (0.95) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL1535914 0.81 MAPT (0.59) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL5837186 0.81 KMT2A (0.59) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL21155841 0.79 ALDH1A1 (0.72) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL18830558 0.78 MEN1 (0.57) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL11347157 0.75 MEN1 (0.67) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL6568351 0.75 MAPT (0.67) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL24869713 0.72 DRD1 (0.69) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL5557727 0.72 KDM4E (0.55) ALDH1A1MAPTKDM4EMEN1GAA

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
US-8314240-B2 Sulfonamide compounds or salts thereof ASTELLAS PHARMA INC. (JP) 2012-11-20 US disclosed
US-20110201616-A1 SULFONAMIDE COMPOUNDS OR SALTS THEREOF ASTELLAS PHARMA INC. (JP) 2011-08-18 US disclosed
EP-2305641-A1 SULFONAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2011-04-06 EP disclosed
US-4367235-A CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1983-01-04 US disclosed
EP-0000784-A1 4-Hydroxy-2-benzimidazolinone derivatives, process for their preparation and their use in medicaments Roche Diagnostics GmbH (DE) 1979-02-21 EP disclosed
US-4110246-A OPTICAL BRIGHTENERS HOECHST AKTIENGESELLSCHAFT (DE) 1978-08-29 US disclosed
US-3985763-A DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1976-10-12 US 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-20110201616-A1 SULFONAMIDE COMPOUNDS OR SALTS THEREOF PTGER1, PTGER2, GPER1 ALDH1A1 614/4885MAPT 4794/4885KDM4E 3127/4885

“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.