SCHEMBL2850004

SCHEMBL2850004

c1ccc2cn3c(cc2c1)nc1ccccc13

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
MAPT P10636 5/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALK Q9UM73 2/20 0.46
HPGD P15428 8/20 0.44
KDM4E B2RXH2 7/20 0.44
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
NQO2 P16083 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.40
GLA P06280 3/20 0.38
GAA P10253 2/20 0.38
ADORA2A P29274 2/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL30933408 1.00 ALDH1A1 (0.49) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL4501486 0.85 ALDH1A1 (0.41) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL31510889 0.85 ALDH1A1 (0.41) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL21622865 0.76 ALDH1A1 (0.42) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL21623397 0.74 ALK (0.48) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL24489537 0.73 PTPN2 (0.42) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL9219702 0.73 KDM4E (0.49) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL23917084 0.72 HPGD (0.39) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL11823273 0.72 ALDH1A1 (0.50) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL21622727 0.72 ALDH1A1 (0.55) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19

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 ALDH1A1 825/4885MAPT 317/4885CYP1A2 1622/4885

“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.