SCHEMBL14073436

SCHEMBL14073436

O=C(Cc1noc2ccccc12)NCc1ccc2c(c1)NC(=O)CO2

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ PARP1 P09874 3/20 0.53
▸ TSHR P16473 1/20 0.49
▸ MAOA P21397 1/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ TP53 P04637 4/20 0.46
▸ MAPT P10636 4/20 0.46
▸ GAA P10253 1/20 0.45
▸ MMP8 P22894 2/20 0.45
▸ MMP13 P45452 2/20 0.45
▸ LMNA P02545 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ HPGD P15428 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NPSR1 Q6W5P4 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
SCHEMBL14073667 0.85 KDM4E (0.60) NPC1RAB9AKMT2ATP53MAPT
SCHEMBL14073439 0.84 TSHR (0.58) PARP1TSHRMAOAKMT2ATP53
SCHEMBL14073116 0.82 PARP1 (0.62) NPC1RAB9APARP1TSHRMAOA
SCHEMBL14073235 0.80 HTT (0.69) PARP1TSHRMAOAKMT2AMAPT
SCHEMBL14073051 0.80 PARP1 (0.70) NPC1RAB9APARP1TSHRMAOA
SCHEMBL14073349 0.79 PARP1 (0.56) RAB9APARP1TSHRMAOAKMT2A
SCHEMBL14073354 0.79 TSHR (0.55) NPC1RAB9APARP1TSHRMAOA
SCHEMBL8194816 0.77 PARP1 (0.54) PARP1TSHRMAOAKMT2ATP53
SCHEMBL14073352 0.77 PARP1 (0.56) PARP1TSHRMAOAKMT2ATP53
SCHEMBL14073196 0.77 HPGD (0.64) NPC1RAB9APARP1TSHRKMT2A

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 NPC1 2740/4885RAB9A 2232/4885PARP1 327/4885

“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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