SCHEMBL14067166

SCHEMBL14067166

CC(C)(C)OC(=O)c1ccc(N2CCN(Cc3ccccc3Br)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.53
▸ ALDH1A1 P00352 6/20 0.53
▸ HPGD P15428 2/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ GAA P10253 2/20 0.48
▸ SMN1; SMN2 Q16637 6/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ MAPK1 P28482 1/20 0.47
▸ HTT P42858 2/20 0.46
▸ LMNA P02545 2/20 0.46

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
SCHEMBL8076856 0.89 MAPT (0.53) MAPTALDH1A1HPGDKDM4ECYP1A2
SCHEMBL3963167 0.86 MEN1 (0.59) MAPTALDH1A1HPGDKDM4ECYP1A2
SCHEMBL8071688 0.84 MAPT (0.53) MAPTALDH1A1HPGDKDM4ECYP1A2
SCHEMBL31616073 0.83 ALDH1A1 (0.56) MAPTALDH1A1HPGDKDM4ECYP1A2
SCHEMBL17223430 0.79 SMN1; SMN2 (0.65) MAPTALDH1A1HPGDCYP2C9CYP2C19
SCHEMBL17302741 0.78 ALDH1A1 (0.67) MAPTALDH1A1HPGDKDM4ECYP1A2
SCHEMBL8073516 0.76 MAPT (0.55) MAPTALDH1A1HPGDCYP2C9CYP2C19
SCHEMBL17302717 0.76 MAPT (0.69) MAPTALDH1A1HPGDKDM4ECYP2C9
SCHEMBL14334514 0.74 MAPT (0.66) MAPTALDH1A1HPGDKDM4ECYP1A2
SCHEMBL14009560 0.73 DDR1 (0.50) ALDH1A1KDM4EGAALMNA

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-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 — — US disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 — — 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-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 MAPT 3758/4885ALDH1A1 2328/4885HPGD 2142/4885

“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.

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