SCHEMBL14073338

SCHEMBL14073338

O=C1COc2ccc(CNC(=O)c3ccnnc3)cc2N1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.64
▸ MAOA P21397 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.53
▸ PARP1 P09874 3/20 0.53
▸ MMP8 P22894 6/20 0.50
▸ MMP13 P45452 5/20 0.50
▸ HSD17B10 Q99714 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPT P10636 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ USP30 Q70CQ3 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP19A1 P11511 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45

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
SCHEMBL14073294 0.88 TSHR (0.68) TSHRMAOAALDH1A1PARP1MMP8
SCHEMBL14073285 0.86 HPGD (0.65) TSHRMAOAALDH1A1PARP1MMP8
SCHEMBL14072985 0.85 TSHR (0.85) TSHRMAOAALDH1A1PARP1MMP8
SCHEMBL14073336 0.85 TSHR (0.67) TSHRMAOAALDH1A1PARP1MMP8
SCHEMBL14073276 0.84 TSHR (0.66) TSHRMAOAALDH1A1PARP1MMP8
SCHEMBL14073033 0.82 TSHR (0.76) TSHRMAOAALDH1A1PARP1MMP8
SCHEMBL14073600 0.81 KMT2A (0.59) ALDH1A1GAAMAPTKMT2ACYP1A2
SCHEMBL14073421 0.81 TSHR (0.68) TSHRMAOAALDH1A1PARP1MMP8
SCHEMBL14073309 0.81 TSHR (0.59) TSHRMAOAALDH1A1PARP1MMP8
SCHEMBL14073387 0.81 TSHR (0.61) TSHRMAOAALDH1A1PARP1MMP8

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 4343/4885MAOA 137/4885ALDH1A1 714/4885

“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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