SCHEMBL14073372

SCHEMBL14073372

O=C(CC12CC3CC(CC(C3)C1)C2)NCc1ccc2c(c1)NC(=O)CO2

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ TSHR P16473 1/20 0.53
▸ PARP1 P09874 3/20 0.53
▸ HPGD P15428 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ RAB9A P51151 1/20 0.51
▸ MAOA P21397 1/20 0.51
▸ POLB P06746 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ MMP8 P22894 2/20 0.46
▸ MMP13 P45452 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
SCHEMBL14073370 0.86 HPGD (0.64) KMT2AMEN1TSHRPARP1HPGD
SCHEMBL14073622 0.84 POLB (0.59) KMT2APOLBALDH1A1MAPT
SCHEMBL14073071 0.83 PARP1 (0.50) KMT2AMEN1TSHRPARP1KDM4E
SCHEMBL14073116 0.82 PARP1 (0.62) KMT2ATSHRPARP1HPGDRAB9A
SCHEMBL14073058 0.78 PARP1 (0.52) KMT2ATSHRPARP1HPGDKDM4E
SCHEMBL14073166 0.78 PARP1 (0.57) KMT2ATSHRPARP1MAOAALDH1A1
SCHEMBL14072971 0.77 GAA (0.61) TSHRMAOAPOLBALDH1A1MAPT
SCHEMBL14073896 0.77 POLB (0.59) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL14072985 0.76 TSHR (0.85) TSHRPARP1MAOAPOLBALDH1A1
SCHEMBL14073354 0.76 TSHR (0.55) KMT2ATSHRPARP1HPGDKDM4E

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 1 patent. 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

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 KMT2A 2900/4885MEN1 1893/4885TSHR 4343/4885

“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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