SCHEMBL5776983

SCHEMBL5776983

CN(Cc1ccc(C=O)cc1I)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.33
RAB9A P51151 3/20 0.33
UNG P13051 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PTGS2 P35354 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2A13 Q16696 1/20 0.33
NPC1 O15118 2/20 0.33
TRIM24 O15164 2/20 0.33
TRIM33 Q9UPN9 2/20 0.33
ALDH1A3 P47895 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SRC P12931 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
ALDH5A1 P51649 2/20 0.32
ABAT P80404 2/20 0.32
HPGD P15428 2/20 0.32
AOX1 Q06278 1/20 0.32

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
SCHEMBL5779948 0.88 ALDH1A1 (0.33) ALDH1A1RAB9AUNGKDM4EPTGS2
SCHEMBL5778941 0.82 CYP2A6 (0.38) ALDH1A1RAB9AKDM4EPTGS2CYP2A6
SCHEMBL5774633 0.82 ALDH1A1 (0.44) ALDH1A1ALDH1A3MEN1KMT2AALDH3A1
SCHEMBL5912956 0.81 HTR2C (0.36) ALDH1A1
SCHEMBL1028247 0.78 PRKCI (0.37) ALDH1A1RAB9AKDM4EPTGS2NPC1
SCHEMBL1935709 0.75 RAB9A (0.47) ALDH1A1RAB9ACYP2A6CYP2A13NPC1
SCHEMBL2724314 0.75 ALDH1A1 (0.41) ALDH1A1RAB9AKDM4EPTGS2CYP2A6
SCHEMBL322185 0.74 NPC1 (0.46) ALDH1A1RAB9AKDM4ENPC1MEN1
SCHEMBL1026376 0.74 CYP1A2 (0.46) ALDH1A1MEN1KMT2ATDP1
SCHEMBL5912959 0.73 MEN1 (0.36) ALDH1A1ALDH1A3MEN1KMT2AALDH3A1

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 ALDH1A1 1541/4885RAB9A 3127/4885UNG 4784/4885

“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.