SCHEMBL5777007

SCHEMBL5777007

CCCC[Sn](CCCC)(CCCC)c1ccc2nc(-c3ccc(NN=Cc4ccncc4)cc3)cn2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.43
RAB9A P51151 10/20 0.43
GAA P10253 5/20 0.43
MAPT P10636 7/20 0.40
KDM4E B2RXH2 5/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 3/20 0.36
HRH3 Q9Y5N1 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
POLB P06746 2/20 0.35
THRB P10828 1/20 0.35
APP P05067 2/20 0.35
ALDH1A1 P00352 5/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HPGD P15428 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
SCHEMBL5777158 0.78 RAB9A (0.56) NPC1RAB9AGAAMAPTKDM4E
SCHEMBL5778442 0.78 RAB9A (0.49) NPC1RAB9AGAAMAPTKDM4E
SCHEMBL5775433 0.78 RAB9A (0.49) NPC1RAB9AGAAMAPTKDM4E
SCHEMBL5779071 0.78 NPC1 (0.49) NPC1RAB9AGAAMAPTKMT2A
SCHEMBL5775590 0.77 APP (0.33) NPC1MAPTKDM4EHRH3SMN1; SMN2
SCHEMBL2904434 0.75 ALDH1A3 (0.54) NPC1RAB9AMAPTKDM4EMAPK1
SCHEMBL1727285 0.75 NPC1 (0.49) NPC1RAB9AMAPTKDM4EMAPK1
SCHEMBL5779836 0.75 RAB9A (0.50) NPC1RAB9AGAAMAPTKDM4E
SCHEMBL2904661 0.73 ALDH1A3 (0.60) NPC1RAB9AGAAKDM4EMAPK1
SCHEMBL1727131 0.73 APP (0.59) APP

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 3127/4885GAA 3175/4885

“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.