SCHEMBL6568274

SCHEMBL6568274

COc1ccc2sc(C(=O)Nc3nnn[nH]3)c(C(C)C)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.51
CYSLTR1 Q9Y271 1/20 0.51
ICAM1 P05362 2/20 0.45
SELE P16581 2/20 0.45
VCAM1 P19320 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
NPC1 O15118 7/20 0.37
RAB9A P51151 6/20 0.37
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
G6PD P11413 1/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
BACE1 P56817 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
ATAD2 Q6PL18 1/20 0.36
DYRK1A Q13627 1/20 0.36

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
SCHEMBL9247114 0.86 MPO (0.56) MPOCYSLTR1ICAM1SELEVCAM1
SCHEMBL6440669 0.86 MPO (0.69) MPOCYSLTR1ICAM1SELEVCAM1
SCHEMBL8767124 0.85 MPO (0.68) MPOCYSLTR1ICAM1SELEVCAM1
SCHEMBL9246108 0.85 MPO (0.48) MPOCYSLTR1ICAM1SELEVCAM1
SCHEMBL10372978 0.82 MPO (0.52) MPOCYSLTR1ICAM1SELEVCAM1
SCHEMBL10371017 0.82 MPO (0.52) MPOCYSLTR1ICAM1SELEVCAM1
SCHEMBL6568247 0.81 MPO (0.51) MPOCYSLTR1ICAM1SELEVCAM1
SCHEMBL6568731 0.80 MPO (0.59) MPOCYSLTR1ICAM1SELEVCAM1
SCHEMBL6811772 0.79 EDNRA (0.48) MPOCYSLTR1ICAM1SELEL3MBTL1
SCHEMBL6812788 0.79 EDNRA (0.51) MPOCYSLTR1ICAM1SELEL3MBTL1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6471997-B1 ANTAGONIST OF CALCITONIN GENE RELATED PEPTIDE, CGRP AND/OR OF SUBSTANCE P; COSMETIC SOCIETE L'OREAL S.A. (FR) 2002-10-29 US claimed
US-5993833-A Histamine antagonist, an interleukin-1 antagonist and/or a TNF alpha antagonist in a cosmetic, pharmaceutical or dermatological composition SOCIETE L'OREAL S.A. (FR) 1999-11-30 US claimed
EP-0765668-B1 Extract of Iridaceas and compositions containing it OREAL (FR) 1999-03-17 EP claimed
US-5795574-A COSMETICS WITH SUBSTANCE P ANTAGONIST SOCIETE L'OREAL S.A. (FR) 1998-08-18 US claimed
EP-0761204-B1 Use of extracts of filamentous, non photosynthetic bacteria and the composition containing them OREAL (FR) 1998-04-15 EP claimed
EP-0765668-A1 Extract of Iridaceas and composition containing it L'OREAL (FR) 1997-04-02 EP claimed
WO-1997009032-A1 UTILIZATION OF AN EXTRACT OF A NON PHOTOSYNTHETIC FILAMENTARY BACTERIUM AND COMPOSITION CONTAINING SUCH EXTRACT L'OREAL (FR) 1997-03-13 WO claimed
WO-1997009056-A1 EXTRACT OF IRIDACEAE AND COMPOSITIONS CONTAINING SUCH EXTRACT L'OREAL (FR) 1997-03-13 WO claimed
EP-0761204-A1 Use of extracts of filamentous, non photosynthetic bacteria and the composition containing them L'OREAL (FR) 1997-03-12 EP claimed
EP-1491183-A2 Use of a plant extract of the Rosaceae family L'OREAL (FR) 2004-12-29 EP disclosed
US-20010022978-A1 Cosmetic, pharmaceutical or dermatological composition comprising a histamine antagonist, an interleukin-1 antagonist and/or a TNF-alpha antagonist LACHARRIERE OLIVIER DE (FR) 2001-09-20 US disclosed
US-6277387-B1 Use of a histamine antagonist, an interleukin-1 antagonist and/or a TNF αantagonist in a cosmetic, pharmaceutical or dermatological composition and composition obtained L'OREAL (FR) 2001-08-21 US disclosed
EP-1059912-A2 USE OF A COMPOUND INHIBITING THE ACTIVITY OF A SODIUM CHANNEL AND A CALCIUM CHANNEL IN A COMPOSITION FOR TOPICAL USE L'OREAL (FR) 2000-12-20 EP disclosed
US-6146636-A ADMINISTERING A PATIENT FOR TREATMENT OF A DISEASE STATE, DISORDER, CONDITION OR AFFLICTION ENTAILING AN EXCESSIVE SYNTHESIS OR RELEASE OF SUBSTANCE P, AN EFFECTIVE AMOUNT OF ROSACEAE FAMILY PLANT EXTRACT AS SUBSTANCE P ANTAGONIST SOCIETE L'OREAL S.A. (FR) 2000-11-14 US disclosed
US-5658581-A REDUCES IRRITANT SIDE EFFECTS OF INCLUDED COMPOUND L'OREAL (FR) 1997-08-19 US disclosed
EP-0765668-A1 Extract of Iridaceas and composition containing it L'OREAL (FR) 1997-04-02 EP disclosed
WO-1997009032-A1 UTILIZATION OF AN EXTRACT OF A NON PHOTOSYNTHETIC FILAMENTARY BACTERIUM AND COMPOSITION CONTAINING SUCH EXTRACT L'OREAL (FR) 1997-03-13 WO disclosed
WO-1997009056-A1 EXTRACT OF IRIDACEAE AND COMPOSITIONS CONTAINING SUCH EXTRACT L'OREAL (FR) 1997-03-13 WO disclosed
EP-0761204-A1 Use of extracts of filamentous, non photosynthetic bacteria and the composition containing them L'OREAL (FR) 1997-03-12 EP disclosed
EP-0729750-A1 Use of an interleukin-1 antagonist and/or alpha-TNF antagonist in a cosmetic, pharmaceutical or dermatological composition, and the composition therefrom, possibly used in combination with a histamine antagonist L'OREAL (FR) 1996-09-04 EP 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-20010022978-A1 Cosmetic, pharmaceutical or dermatological composition comprising a histamine antagonist, an interleukin-1 antagonist and/or a TNF-alpha antagonist TNF, IL1A, IL1B MPO 442/4885CYSLTR1 33/4885ICAM1 43/4885

“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.