SCHEMBL4956744

SCHEMBL4956744

CCOc1c2c(c(OCC)c3ccccc13)C(=N)NC2=N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 8/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37
GABRE P78334 1/20 0.37
GABRA6 Q16445 1/20 0.37
GABRG1 Q8N1C3 1/20 0.37
GABRG3 Q99928 1/20 0.37
GABRQ Q9UN88 1/20 0.37
MEN1 O00255 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
SCHEMBL29849780 0.84 GABRP (0.41) PTGER4CYP1A2GABRPGABRDGABRA1
SCHEMBL29366895 0.77 ALDH1A1 (0.50) PTGER4CYP1A2CYP2D6GABRPGABRD
SCHEMBL51657 0.77 ALDH1A1 (0.50) PTGER4CYP1A2CYP2D6GABRPGABRD
SCHEMBL755011 0.75 ALDH1A1 (0.48) PTGER4CYP1A2CYP2D6GABRPGABRD
SCHEMBL3215387 0.72 ALDH1A1 (0.39) MEN1KMT2AKDM4EALDH1A1MAPK1
SCHEMBL2257033 0.72 PTGER4 (0.47) PTGER4CYP1A2CYP2D6KDM4EALDH1A1
SCHEMBL23271679 0.71 ALDH1A1 (0.44) PTGER4CYP1A2CYP2D6GABRPGABRD
SCHEMBL30003317 0.71 ALDH1A1 (0.44) PTGER4CYP1A2CYP2D6GABRPGABRD
SCHEMBL30660757 0.70 ALDH1A1 (0.42) PTGER4CYP1A2CYP2D6GABRPGABRD
SCHEMBL23271850 0.70 ALDH1A1 (0.68) PTGER4CYP1A2CYP2D6MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7322927-B2 Hybrid phthalocyanine derivatives and their uses BIOSITE, INC. (US) 2008-01-29 US disclosed
US-20060228748-A1 Hybrid phthalocyanine derivatives and their uses BIOSITE INCORPORATED 2006-10-12 US disclosed
US-7083984-B2 Hybrid phthalocyanine derivatives and their uses BIOSITE, INC. (US) 2006-08-01 US disclosed
US-6964844-B1 Hybrid phthalocyanine derivatives and their uses BIOSITE, INC. (US) 2005-11-15 US disclosed
US-20020061602-A1 Hybrid phthalocyanine derivatives and their uses GENERAL ELECTRIC CAPITAL CORPORATION, AS AGENT 2002-05-23 US disclosed
EP-0670041-B1 FLUORESCENCE ENERGY TRANSFER AND INTRAMOLECULAR ENERGY TRANSFER IN PARTICLES USING NOVEL COMPOUNDS BIOSITE DIAGNOSTICS INC (US) 2002-01-30 EP disclosed
EP-0820489-B1 HYBRID PHTHALOCYANINE DERIVATIVES AND THEIR USES BIOSITE DIAGNOSTICS INC (US) 2001-07-11 EP disclosed
US-6251687-B1 PARTICLE CONTAINING ENERGY DONOR AND ENERGY ACCEPTOR BIOSITE DIAGNOSTICS, INC. 2001-06-26 US disclosed
US-6238931-B1 PARTICLES WITH ENERGY DONORS AND ACCEPTORS AS WELL AS PROTEINS, POLYPEPTIDES, NUCLEIC ACIDS, OR LIGAND ANALOGUES BOUND TO SURFACE; WITH REDUCED QUENCHING AND IMPROVED FLUORESCENCE INTENSITIES; IMMUNOASSAYS BIOSITE DIAGNOSTICS, INC. 2001-05-29 US disclosed
EP-0670041-A4 FLUORESCENCE ENERGY TRANSFER AND INTRAMOLECULAR ENERGY TRANSFER IN PARTICLES USING NOVEL COMPOUNDS. BIOSITE DIAGNOSTICS INC (US) 1997-11-05 EP disclosed
WO-1996029367-A1 HYBRID PHTHALOCYANINE DERIVATIVES AND THEIR USES BIOSITE DIAGNOSTICS INCORPORATED (US) 1996-09-26 WO disclosed
EP-0670041-A1 FLUORESCENCE ENERGY TRANSFER AND INTRAMOLECULAR ENERGY TRANSFER IN PARTICLES USING NOVEL COMPOUNDS BIOSITE DIAGNOSTICS INC. (US) 1995-09-06 EP disclosed
WO-1995008772-A1 FLUORESCENCE ENERGY TRANSFER AND INTRAMOLECULAR ENERGY TRANSFER IN PARTICLES USING NOVEL COMPOUNDS BIOSITE DIAGNOSTICS INCORPORATED (US) 1995-03-30 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-20060228748-A1 Hybrid phthalocyanine derivatives and their uses UACA, PHAX, PTBP1 PTGER4 4324/4885CYP1A2 4811/4885CYP2D6 4693/4885

“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.