SCHEMBL6574222

SCHEMBL6574222

N#CCOc1ccc(C#N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.53
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
MMP2 P08253 2/20 0.46
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
CA1 P00915 1/20 0.45
HRH3 Q9Y5N1 3/20 0.44
CYP2A6 P11509 2/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
CA12 O43570 1/20 0.42
CA3 P07451 1/20 0.42
CA6 P23280 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
TBXAS1 P24557 1/20 0.42

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
SCHEMBL515056 0.82 MAOB (0.50) MAOBALDH1A1MAPTMMP2CA2
SCHEMBL14922474 0.82 MAOB (0.50) MAOBALDH1A1MAPTMMP2CA2
SCHEMBL5797779 0.82 CA9 (0.52) MAOBALDH1A1MAPTMMP2CA2
SCHEMBL4113028 0.81 MAPT (0.71) ALDH1A1MAPTCA2CA9CA1
SCHEMBL7986752 0.80 ALDH1A1 (0.66) MAOBALDH1A1MAPTMMP2HRH3
SCHEMBL11784760 0.80 MAOB (0.57) MAOBALDH1A1MAPTMMP2CA2
SCHEMBL3251102 0.79 SYK (0.46) MAOBALDH1A1
SCHEMBL19012000 0.79 SYK (0.40) MAOBALDH1A1MAPTCA2CA9
SCHEMBL3357599 0.79 ALDH1A1 (0.46) ALDH1A1MAPTCYP2A6
SCHEMBL2061077 0.79 TDP1 (0.52) MAOBALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147612-A1 Sulfonamide derivatives DAVISON JOSHUA ZWICK (US) 2004-07-29 US disclosed
EP-1409452-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2004-04-21 EP disclosed
WO-2002098846-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-12-12 WO disclosed
US-4343808-A Method of inhibiting sickling of sickle erythrocytes THE DOW CHEMICAL COMPANY (US) 1982-08-10 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-20040147612-A1 Sulfonamide derivatives GRIN1, GRIN2A, GRIA1 MAOB 1440/4885ALDH1A1 365/4885MAPT 2242/4885

“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.