SCHEMBL5774553

SCHEMBL5774553

Fc1cc(C=NNc2ccc(-c3cnco3)cc2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.40
RAB9A P51151 6/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPK1 P28482 1/20 0.40
PTK2 Q05397 1/20 0.39
GAA P10253 4/20 0.39
LMNA P02545 4/20 0.38
KMT2A Q03164 3/20 0.38
PKM P14618 3/20 0.38
NOTUM Q6P988 1/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37

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
SCHEMBL5779129 0.86 PTK2 (0.39) NPC1RAB9AALDH1A1KDM4ETDP1
SCHEMBL14742652 0.84 RAB9A (0.55) NPC1RAB9AALDH1A1KDM4ETDP1
SCHEMBL5776228 0.84 RAB9A (0.55) NPC1RAB9AALDH1A1KDM4ETDP1
SCHEMBL5777539 0.83 LMNA (0.39) NPC1RAB9AALDH1A1KDM4ETDP1
SCHEMBL5774952 0.83 NPC1 (0.39) NPC1RAB9AALDH1A1KDM4ETDP1
Hydrochloric Acid SCHEMBL5778200 0.83 RAB9A (0.57) NPC1RAB9AALDH1A1KDM4ETDP1
SCHEMBL5777785 0.82 MPO (0.50) NPC1RAB9AALDH1A1KDM4ETDP1
SCHEMBL5777782 0.82 MPO (0.50) NPC1RAB9AALDH1A1KDM4ETDP1
SCHEMBL5777337 0.79 JAK3 (0.49) NPC1RAB9AALDH1A1GAALMNA
SCHEMBL5778811 0.79 NOX1 (0.54) NPC1RAB9AALDH1A1KDM4ETDP1

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 NPC1 952/4885RAB9A 3127/4885ALDH1A1 1541/4885

“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.