SCHEMBL5776840

SCHEMBL5776840

Nc1ccc(-c2cn3cc(I)cnc3n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.57
KMT2A Q03164 4/20 0.57
KDM4E B2RXH2 8/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
MAPT P10636 5/20 0.46
APP P05067 3/20 0.46
ALDH1A1 P00352 8/20 0.40
POLB P06746 2/20 0.40
GFER P55789 1/20 0.40
NPC1 O15118 7/20 0.40
GAA P10253 5/20 0.40
HPGD P15428 4/20 0.40
GLA P06280 3/20 0.40
MEN1 O00255 3/20 0.40
HSD17B10 Q99714 2/20 0.40
TP53 P04637 2/20 0.40
TLR8 Q9NR97 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
KEAP1 Q14145 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
SCHEMBL10173266 0.85 RAB9A (0.62) RAB9AKMT2AKDM4ESMN1; SMN2MAPT
SCHEMBL1726397 0.84 RAB9A (0.46) RAB9AKMT2AKDM4ESMN1; SMN2MAPT
SCHEMBL14076028 0.84 KDM4E (0.57) RAB9AKMT2AKDM4ESMN1; SMN2MAPT
SCHEMBL14076026 0.81 APP (0.71) RAB9AKDM4ESMN1; SMN2MAPTAPP
SCHEMBL2433203 0.77 GAA (0.42) RAB9AKMT2AKDM4ESMN1; SMN2MAPT
SCHEMBL1726419 0.76 MAPT (0.47) RAB9AKMT2AKDM4ESMN1; SMN2MAPT
SCHEMBL2542616 0.75 RAB9A (0.50) RAB9AKMT2AKDM4ESMN1; SMN2MAPT
SCHEMBL1985593 0.74 APP (0.66) RAB9AKMT2AKDM4ESMN1; SMN2APP
SCHEMBL31154242 0.74 ALDH1A1 (0.57) RAB9AKMT2AKDM4ESMN1; SMN2MAPT
SCHEMBL1494735 0.73 RAB9A (1.00) RAB9AKMT2AKDM4ESMN1; SMN2MAPT

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 3127/4885KMT2A 3533/4885KDM4E 4325/4885

“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.