SCHEMBL5779744

SCHEMBL5779744

C(=NNc1ccc(-c2cn3cccnc3n2)cc1)c1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.54
KDM4E B2RXH2 10/20 0.54
ALDH1A1 P00352 10/20 0.54
NPC1 O15118 8/20 0.54
GAA P10253 8/20 0.54
GLA P06280 6/20 0.54
HPGD P15428 5/20 0.54
HSD17B10 Q99714 4/20 0.54
KMT2A Q03164 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
MEN1 O00255 3/20 0.54
CYP1A2 P05177 2/20 0.54
TP53 P04637 4/20 0.53
MAPT P10636 4/20 0.53
POLB P06746 1/20 0.50
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL5779669 0.86 RAB9A (0.49) RAB9AKDM4EALDH1A1NPC1GAA
SCHEMBL5779836 0.83 RAB9A (0.50) RAB9AKDM4EALDH1A1NPC1GAA
SCHEMBL5773663 0.82 RAB9A (0.44) RAB9AKDM4EALDH1A1NPC1GAA
SCHEMBL9560123 0.78 ALDH1A1 (0.78) RAB9AKDM4EALDH1A1NPC1GAA
SCHEMBL5775793 0.77 NPC1 (0.53) RAB9AKDM4EALDH1A1NPC1GAA
SCHEMBL5775433 0.77 RAB9A (0.49) RAB9AKDM4EALDH1A1NPC1GAA
SCHEMBL5778442 0.75 RAB9A (0.49) RAB9AKDM4EALDH1A1NPC1GAA
SCHEMBL5777158 0.75 RAB9A (0.56) RAB9AKDM4EALDH1A1NPC1GAA
SCHEMBL5779071 0.75 NPC1 (0.49) RAB9AALDH1A1NPC1GAAKMT2A
SCHEMBL5778701 0.75 RAB9A (0.71) RAB9AKDM4EALDH1A1NPC1GAA

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 3127/4885KDM4E 4325/4885ALDH1A1 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.