SCHEMBL6676336

SCHEMBL6676336

COC(=O)c1cc(Sc2ccc(CCNC(=O)OC(C)(C)C)cc2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
NAMPT P43490 1/20 0.41
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTGER4 P35408 1/20 0.40
LMNA P02545 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
AKT1 P31749 1/20 0.39
AR P10275 1/20 0.38
POLB P06746 1/20 0.38
METTL3 Q86U44 1/20 0.38
HTT P42858 2/20 0.38
ATR Q13535 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NQO2 P16083 1/20 0.38

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
SCHEMBL6678702 0.81 CA2 (0.50) CA1CA2NAMPTPTGER4KDM5B
SCHEMBL1936202 0.75 MGLL (0.55) ALDH1A1CA1CA2NAMPTMAPT
SCHEMBL6541375 0.74 KMT2A (0.46) ALDH1A1LMNAHTT
SCHEMBL27741035 0.73 CA2 (0.56) CA1CA2NAMPTMAPTTDP1
SCHEMBL23291128 0.73 CYP17A1 (0.59) CA1CA2NAMPTMAPTTDP1
SCHEMBL7091943 0.72 CA2 (0.48) ALDH1A1CA1CA2NAMPTMAPT
SCHEMBL2024124 0.72 CYP17A1 (0.53) ALDH1A1CA1CA2NAMPTMAPT
SCHEMBL19939942 0.72 NPSR1 (0.44) ALDH1A1CA1CA2NAMPTMAPT
SCHEMBL4465651 0.72 MGLL (0.51) CA1CA2NAMPTMAPTPTGER4
SCHEMBL6539884 0.71 MAPT (0.43) ALDH1A1CA1CA2NAMPTMAPT

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-20040106653-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 US disclosed
WO-2004045610-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-06-03 WO 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-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 ALDH1A1 168/4885CA1 2450/4885CA2 696/4885

“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.