SCHEMBL3628546

SCHEMBL3628546

COc1c(Cl)cc(C(N)=O)c(N)c1C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ACHE P22303 1/20 0.40
HTR4 Q13639 1/20 0.40
HPGD P15428 2/20 0.40
TPMT P51580 1/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
NNMT P40261 1/20 0.38
POLB P06746 1/20 0.38
IKBKB O14920 1/20 0.36

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
SCHEMBL10953308 0.87 TPMT (0.46) GAAALDH1A1KDM4EHPGDTPMT
SCHEMBL24453254 0.85 KDM4E (0.55) GAAALDH1A1KDM4EHPGDHTT
SCHEMBL10862772 0.83 ACHE (0.43) GAAALDH1A1KDM4EACHEHTR4
SCHEMBL7165339 0.80 TSHR (0.53) ALDH1A1KDM4EHPGDTPMTHTT
SCHEMBL14776122 0.77 ALDH1A1 (0.46) GAAALDH1A1KDM4EACHEHTR4
SCHEMBL6772316 0.77 HSD17B10 (0.44) GAAALDH1A1KDM4EHPGDTPMT
SCHEMBL6782175 0.75 GAA (0.54) GAAALDH1A1KDM4EHPGDHTT
SCHEMBL29238015 0.74 ALDH1A1 (0.38) GAAALDH1A1KDM4EHPGDTPMT
SCHEMBL9929474 0.73 GAA (0.41) GAAALDH1A1KDM4EHPGDTPMT
SCHEMBL11468821 0.73 HSD17B10 (0.47) GAAALDH1A1KDM4EHPGDTPMT

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-7820717-B2 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-10-26 US disclosed
US-20090054495-A1 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2009-02-26 US 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-20090054495-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 GAA 3049/4885ALDH1A1 2607/4885KDM4E 3799/4885

“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.