SCHEMBL14073352

SCHEMBL14073352

O=C(Cc1cccnc1)NCc1ccc2c(c1)NC(=O)CO2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.56
▸ ERCC1 P07992 1/20 0.56
▸ ERCC4 Q92889 1/20 0.56
▸ NR3C2 P08235 2/20 0.53
▸ TSHR P16473 2/20 0.52
▸ GAA P10253 1/20 0.50
▸ CYP1A2 P05177 4/20 0.49
▸ CYP3A4 P08684 4/20 0.49
▸ CYP19A1 P11511 3/20 0.49
▸ CYP2C9 P11712 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ MAOA P21397 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MAPT P10636 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ PGR P06401 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ POLB P06746 1/20 0.47

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
SCHEMBL14073063 0.96 PARP1 (0.54) PARP1ERCC1ERCC4NR3C2TSHR
SCHEMBL14073354 0.87 TSHR (0.55) PARP1TSHRGAAMAOAMAPT
SCHEMBL14073116 0.87 PARP1 (0.62) PARP1NR3C2TSHRMAOALMNA
SCHEMBL14073090 0.85 PARP1 (0.55) PARP1TSHRGAAMAOALMNA
SCHEMBL14073051 0.85 PARP1 (0.70) PARP1TSHRMAOALMNAMAPT
SCHEMBL14073285 0.84 HPGD (0.65) PARP1NR3C2TSHRCYP1A2CYP3A4
SCHEMBL14073604 0.84 ROCK2 (0.60) PARP1NR3C2CYP1A2CYP3A4CYP19A1
SCHEMBL14072968 0.82 TSHR (0.66) NR3C2TSHRGAACYP1A2CYP3A4
SCHEMBL14073349 0.82 PARP1 (0.56) PARP1NR3C2TSHRMAOALMNA
SCHEMBL14073044 0.81 TSHR (0.73) PARP1TSHRHSD17B10KMT2AALDH1A1

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 PARP1 327/4885ERCC1 1767/4885ERCC4 479/4885

“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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