SCHEMBL1318145

SCHEMBL1318145

Cc1ccc(C(=O)N[C@H](C)c2ccc3ccccc3c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 2/20 0.60
▸ MMP9 P14780 1/20 0.59
▸ NPC1 O15118 2/20 0.57
▸ PDE2A O00408 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ UTS2R Q9UKP6 2/20 0.55
▸ ROCK2 O75116 1/20 0.53
▸ ROCK1 Q13464 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ TAS1R3 Q7RTX0 1/20 0.51
▸ TAS1R1 Q7RTX1 1/20 0.51
▸ DRD2 P14416 1/20 0.51
▸ DRD3 P35462 1/20 0.51

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
SCHEMBL12121924 0.90 MMP9 (0.64) HPGDSMMP9NPC1PDE2AMEN1
SCHEMBL1320071 0.87 MMP9 (0.58) HPGDSMMP9NPC1PDE2ARAB9A
SCHEMBL23839968 0.86 MEN1 (0.59) HPGDSMMP9NPC1PDE2ARAB9A
SCHEMBL1320867 0.86 MEN1 (0.59) HPGDSMMP9NPC1PDE2ARAB9A
SCHEMBL1320543 0.86 MEN1 (0.64) HPGDSMMP9NPC1RAB9AMEN1
SCHEMBL29375958 0.85 MMP9 (0.56) HPGDSMMP9NPC1PDE2AMEN1
SCHEMBL1643774 0.83 TP53 (0.55) HPGDSMMP9NPC1PDE2ARAB9A
SCHEMBL3102386 0.83 ROCK2 (0.72) HPGDSMMP9UTS2RROCK2ROCK1
SCHEMBL30530125 0.82 LMNA (0.55) HPGDSNPC1RAB9AMEN1KMT2A
SCHEMBL2405077 0.82 MMP9 (0.58) MMP9NPC1MEN1KMT2ASMN1; SMN2

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-20110269834-A1 COMPOUNDS AND METHODS FOR TREATING RESPIRATORY DISEASES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-11-03 — — US disclosed
WO-2010022355-A1 COMPOUNDS AND METHODS FOR TREATING RESPIRATORY DISEASES PURDUE RESEARCH FOUNDATION (US) 2010-02-25 — — WO 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-20110269834-A1 COMPOUNDS AND METHODS FOR TREATING RESPIRATORY DISEASES SARS1, ACE2, ACE HPGDS 515/4885MMP9 974/4885NPC1 89/4885

“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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