SCHEMBL5777989

SCHEMBL5777989

Nc1ccc(C2=NCCS2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
MGLL Q99685 3/20 0.40
CYP3A4 P08684 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
TP53 P04637 1/20 0.40
APP P05067 1/20 0.37
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL8378973 0.79 MGLL (0.43) ALDH1A1MAPTATMLMNASMN1; SMN2
SCHEMBL21664123 0.79 ALDH1A1 (0.47) ALDH1A1MAPTATMLMNASMN1; SMN2
SCHEMBL21663870 0.77 MAPT (0.48) ALDH1A1MAPTATMLMNASMN1; SMN2
SCHEMBL9608569 0.75 ALDH1A1 (0.40) ALDH1A1MAPTATMNOS3NOS1
SCHEMBL3822969 0.74 ALDH1A1 (0.47) ALDH1A1MAPTATMLMNASMN1; SMN2
SCHEMBL14875049 0.71 ALDH1A1 (0.38) ALDH1A1MAPTATMLMNASMN1; SMN2
SCHEMBL14875079 0.71 LMNA (0.40) ALDH1A1MAPTATMLMNASMN1; SMN2
SCHEMBL17115185 0.71 ADRB2 (0.45) ALDH1A1MAPTATMLMNASMN1; SMN2
SCHEMBL10231621 0.70 LMNA (0.41) ALDH1A1MAPTATMNOS3NOS1
SCHEMBL18624160 0.69 CYP2A6 (0.43) ALDH1A1MAPTATMLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060276433-A1 Hydrazone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 US disclosed
EP-1612204-A1 HYDRAZONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-04 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-20060276433-A1 Hydrazone derivative APP, PRNP, HTT ALDH1A1 1541/4885MAPT 94/4885ATM 3219/4885

“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.