SCHEMBL5778422

SCHEMBL5778422

Ic1cc(NN=Cc2ccncc2)ccc1-c1cnco1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.49
NPC1 O15118 6/20 0.49
MAPT P10636 6/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
POLB P06746 3/20 0.49
THRB P10828 1/20 0.49
GAA P10253 7/20 0.45
IMPDH2 P12268 1/20 0.42
KMT2A Q03164 1/20 0.41
LMNA P02545 4/20 0.40
GFER P55789 2/20 0.40
HTT P42858 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
SRC P12931 1/20 0.39
BRAF P15056 1/20 0.39
KDR P35968 1/20 0.39
PTK2 Q05397 1/20 0.37
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL5779997 0.86 RAB9A (0.49) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL5779013 0.84 IMPDH2 (0.39) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL5779016 0.84 IMPDH2 (0.39) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL5772436 0.83 IMPDH2 (0.35) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL5772437 0.83 IMPDH2 (0.35) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL5779118 0.81 MAPT (0.44) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL5778054 0.81 MAOA (0.52) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL5778057 0.81 MAOA (0.52) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL5779122 0.81 MAPT (0.44) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL14742652 0.80 RAB9A (0.55) RAB9ANPC1MAPTSMN1; SMN2POLB

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 RAB9A 3127/4885NPC1 952/4885MAPT 94/4885

“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.