SCHEMBL5778941

SCHEMBL5778941

CN(C)Cc1ccc(C=O)cc1I

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.38
CYP2A13 Q16696 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
ALDH1A3 P47895 4/20 0.37
ALDH1A1 P00352 7/20 0.36
ALDH3A1 P30838 4/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
G6PD P11413 1/20 0.35
PABPC1 P11940 1/20 0.35
KMT2A Q03164 1/20 0.35
HKDC1 Q2TB90 1/20 0.35

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
SCHEMBL5776983 0.82 ALDH1A1 (0.33) CYP2A6CYP2A13ALDH1A3ALDH1A1ALDH3A1
SCHEMBL2724314 0.81 ALDH1A1 (0.41) CYP2A6ALDH1A3ALDH1A1ALDH3A1KDM4E
SCHEMBL18519479 0.80 ALDH1A1 (0.41) CYP2A6CYP2A13SLC6A2SLC6A4ALDH1A3
SCHEMBL28007857 0.76 ALDH1A3 (0.49) CYP2A6CYP2A13ALDH1A3ALDH1A1ALDH3A1
SCHEMBL7291558 0.76 ALDH1A1 (0.55) CYP2A6CYP2A13ALDH1A1KDM4ETDP1
SCHEMBL25273587 0.76 ALDH1A1 (0.58) ALDH1A3ALDH1A1TDP1MEN1MAPT
SCHEMBL5912956 0.76 HTR2C (0.36) SLC6A4ALDH1A1POLB
Hydrochloric Acid SCHEMBL18281038 0.75 ALDH1A1 (0.53) CYP2A6CYP2A13ALDH1A1KDM4ETDP1
SCHEMBL28818187 0.75 KIF11 (0.41) CYP2A6CYP2A13SLC6A2SLC6A4ALDH1A3
SCHEMBL5915441 0.74 ALDH1A1 (0.59) ALDH1A1CYP1A2CYP2C19TDP1MEN1

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 CYP2A6 2679/4885CYP2A13 1390/4885SLC6A2 3242/4885

“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.