SCHEMBL14073133

SCHEMBL14073133

Nc1ccncc1C(=O)NCc1ccc2c(c1)NC(=O)CO2

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.56
▸ PARP1 P09874 3/20 0.50
▸ MAOA P21397 1/20 0.49
▸ MMP8 P22894 7/20 0.48
▸ MMP13 P45452 6/20 0.48
▸ ALDH1A1 P00352 1/20 0.46
▸ NAMPT P43490 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ROCK2 O75116 1/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP19A1 P11511 2/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ ADAMTS4 O75173 1/20 0.43
▸ MMP3 P08254 1/20 0.43
▸ MMP12 P39900 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43

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
SCHEMBL14073139 0.92 TSHR (0.56) TSHRPARP1MAOAMMP8MMP13
SCHEMBL14073294 0.83 TSHR (0.68) TSHRPARP1MAOAMMP8MMP13
SCHEMBL14073478 0.82 KMT2A (0.62) ALDH1A1KMT2ACYP1A2CYP3A4CYP19A1
SCHEMBL14073107 0.82 TSHR (0.56) TSHRPARP1MAOAMMP8MMP13
SCHEMBL14073285 0.82 HPGD (0.65) TSHRPARP1MAOAMMP8MMP13
SCHEMBL14073177 0.81 TSHR (0.57) TSHRPARP1MAOAMMP8MMP13
SCHEMBL14073156 0.80 TSHR (0.58) TSHRPARP1MAOAMMP8MMP13
SCHEMBL14073265 0.80 TSHR (0.60) TSHRPARP1MAOAMMP8MMP13
SCHEMBL14073329 0.79 TSHR (0.57) TSHRPARP1MAOAMMP8MMP13
SCHEMBL14073338 0.78 TSHR (0.64) TSHRPARP1MAOAMMP8MMP13

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 4343/4885PARP1 327/4885MAOA 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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