SCHEMBL2849518

SCHEMBL2849518

C1=CCN2C(=C1)Sc1ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
MAOA P21397 1/20 0.38
NPC1 O15118 2/20 0.36
BCHE P06276 7/20 0.35
HPGD P15428 1/20 0.34
NOX1 Q9Y5S8 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ACHE P22303 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CHRM3 P20309 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
DRD3 P35462 1/20 0.33
HTR2B P41595 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 2/20 0.33

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
SCHEMBL2419408 0.77 HPGD (0.36) MAPTNPC1HPGDMEN1KMT2A
SCHEMBL3504625 0.67 NPC1 (0.45) MAOANPC1BCHENOX1MEN1
Hydrochloric Acid SCHEMBL11189563 0.66 NPC1 (0.44) MAOANPC1BCHENOX1MEN1
SCHEMBL15546491 0.65 MAOA (0.39) MAOANPC1BCHENOX1MEN1
SCHEMBL30171464 0.65 MAOA (0.39) MAOANPC1BCHENOX1MEN1
SCHEMBL15326871 0.65 NPC1 (0.51) MAOANPC1BCHENOX1MEN1
SCHEMBL23954406 0.64 MAOA (0.47) MAOABCHENOX1MEN1KMT2A
SCHEMBL1343091 0.64 MAOA (0.38) MAOANPC1BCHEHPGDNOX1
SCHEMBL3055798 0.63 NPC1 (0.53) MAPTMAOANPC1BCHENOX1
SCHEMBL2057181 0.62 HPGD (0.37) HPGDADRA2ASLC6A2SLC6A4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1652554-B1 Composition comprising at least one carboycanine, process of treating keratinic fibres, kit and use of said composition OREAL (FR) 2010-01-13 EP claimed
US-7425221-B2 Composition comprising at least one substituted derivative of carbocyanine, method for treating keratin fibers using it, device and use L'OREAL S.A. (FR) 2008-09-16 US claimed
US-20060195990-A1 Composition comprising at least one substituted derivative of carbocyanine, method for treating keratin fibers using it, device and use L'OREAL S.A. (FR) 2006-09-07 US claimed
EP-1652554-A1 Composition comprising at least one carboycanine, process of treating keratinic fibres, kit and use of said composition L'OREAL (FR) 2006-05-03 EP claimed
WO-2006030127-A1 COMPOSITION COMPRISING AT LEAST ONE SUBSTITUTED CARBOCYANINE DERIVATIVE, KERATIN FIBRE TREATMENT METHOD USING SAME, ASSOCIATED DEVICE AND USE THEREOF L'OREAL (FR) 2006-03-23 WO claimed
EP-1652554-B1 Composition comprising at least one carboycanine, process of treating keratinic fibres, kit and use of said composition OREAL (FR) 2010-01-13 EP disclosed
US-7425221-B2 Composition comprising at least one substituted derivative of carbocyanine, method for treating keratin fibers using it, device and use L'OREAL S.A. (FR) 2008-09-16 US disclosed
US-20060195990-A1 Composition comprising at least one substituted derivative of carbocyanine, method for treating keratin fibers using it, device and use L'OREAL S.A. (FR) 2006-09-07 US disclosed
WO-2006030127-A1 COMPOSITION COMPRISING AT LEAST ONE SUBSTITUTED CARBOCYANINE DERIVATIVE, KERATIN FIBRE TREATMENT METHOD USING SAME, ASSOCIATED DEVICE AND USE THEREOF L'OREAL (FR) 2006-03-23 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-20060195990-A1 Composition comprising at least one substituted derivative of carbocyanine, method for treating keratin fibers using it, device and use KRT18, KLK5, IK MAPT 317/4885MAOA 2267/4885NPC1 2876/4885

“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.