SCHEMBL14073334

SCHEMBL14073334

O=C1COc2ccc(CNC(=O)c3ccc4[nH]cnc4c3)cc2N1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.64
▸ ALDH1A1 P00352 2/20 0.54
▸ MAOA P21397 1/20 0.54
▸ POLB P06746 1/20 0.48
▸ PARP1 P09874 3/20 0.48
▸ GAA P10253 1/20 0.47
▸ MMP8 P22894 5/20 0.47
▸ MMP13 P45452 5/20 0.47
▸ USP30 Q70CQ3 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ SMYD3 Q9H7B4 1/20 0.44
▸ NAMPT P43490 1/20 0.44

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
SCHEMBL14072985 0.85 TSHR (0.85) TSHRALDH1A1MAOAPOLBPARP1
SCHEMBL14073421 0.85 TSHR (0.68) TSHRALDH1A1MAOAPARP1GAA
SCHEMBL14073342 0.85 TSHR (0.64) TSHRALDH1A1MAOAPOLBPARP1
SCHEMBL14073412 0.83 TSHR (0.68) TSHRALDH1A1MAOAPARP1GAA
SCHEMBL14073593 0.83 MAPT (0.58) TSHRALDH1A1POLBGAAMAPT
SCHEMBL14073033 0.82 TSHR (0.76) TSHRALDH1A1MAOAPARP1GAA
SCHEMBL14073241 0.82 TSHR (0.67) TSHRALDH1A1MAOAPARP1GAA
SCHEMBL14073398 0.81 TSHR (0.68) TSHRALDH1A1MAOAPARP1GAA
SCHEMBL14073276 0.80 TSHR (0.66) TSHRALDH1A1MAOAPARP1GAA
SCHEMBL16861502 0.80 TSHR (0.58) TSHRALDH1A1MAOAPARP1GAA

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-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 — — US disclosed
US-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, 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-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic moiety MMP12, MMP13, MMP25 TSHR 4343/4885ALDH1A1 714/4885MAOA 137/4885

“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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