SCHEMBL14019449

SCHEMBL14019449

CCOC(=O)c1oc(Cc2ccc(I)cc2)nc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 3/20 0.38
HSP90AA1 P07900 2/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
FBP1 P09467 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37

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
SCHEMBL14019446 0.89 TARBP2 (0.46) HDAC4HDAC6SMN1; SMN2RAB9AHSP90AA1
SCHEMBL3822762 0.86 SMN1; SMN2 (0.49) SMN1; SMN2RAB9AHPGDTSHRCYP1A2
SCHEMBL4887366 0.80 SLC26A6 (0.46) SMN1; SMN2RAB9AHPGDCYP1A2MAPT
SCHEMBL14019448 0.76 SLC26A6 (0.44) SMN1; SMN2RAB9AHPGDTSHRCYP1A2
SCHEMBL21179351 0.75 KLKB1 (0.51)
SCHEMBL3823043 0.75 MAPT (0.48) SMN1; SMN2RAB9AHPGDCYP1A2MAPT
SCHEMBL3769312 0.74 P2RX3 (0.50) SMN1; SMN2RAB9AHPGDMAPTKDM4E
SCHEMBL3822181 0.74 FBP1 (0.41) HDAC4HDAC6RAB9AHPGDFBP1
SCHEMBL14019445 0.74 ALDH1A1 (0.47) TP53HPGDTSHRCYP1A2MAPT
SCHEMBL9750715 0.74 CYP1A2 (0.41) HDAC4HDAC6SMN1; SMN2RAB9AHPGD

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-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2008-10-16 US disclosed
US-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2008-10-16 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-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof PAH, TST, MPST HDAC4 1976/4885HDAC6 2553/4885SMN1; SMN2 4675/4885

“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.