SCHEMBL5449154

SCHEMBL5449154

CCCCCN1Cc2ccccc2-c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP1A2 P05177 1/20 0.50
ALDH2 P05091 1/20 0.45
ALDH3A1 P30838 1/20 0.45
CYP2C9 P11712 1/20 0.44
CES1 P23141 2/20 0.44
CDC25A P30304 1/20 0.44
DRD2 P14416 2/20 0.43
DRD5 P21918 2/20 0.43
DRD3 P35462 2/20 0.43
HTR7 P34969 2/20 0.43
HTR1A P08908 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL23693996 0.88 ALDH1A1 (0.45) ALDH1A1CYP2D6CYP2C19CYP1A2ALDH2
SCHEMBL23694526 0.81 CYP2D6 (0.40) ALDH1A1CYP2D6CYP2C19CYP1A2ALDH2
SCHEMBL5712077 0.81 ALDH1A1 (0.53) ALDH1A1CYP2D6CYP2C19CYP1A2ALDH2
SCHEMBL29532002 0.81 DRD2 (0.60) ALDH1A1CYP2D6CYP2C19CYP1A2ALDH2
SCHEMBL18030756 0.81 DRD2 (0.60) ALDH1A1CYP2D6CYP2C19CYP1A2ALDH2
SCHEMBL22210696 0.79 ALDH1A1 (0.41) ALDH1A1CYP2D6CYP2C19CYP1A2ALDH2
SCHEMBL20329971 0.79 HTR7 (0.61) ALDH1A1CYP2D6CYP2C19CYP1A2ALDH2
SCHEMBL18612248 0.79 HTR7 (0.61) ALDH1A1CYP2D6CYP2C19CYP1A2ALDH2
SCHEMBL13910341 0.79 HTR7 (0.61) ALDH1A1CYP2D6CYP2C19CYP1A2ALDH2
SCHEMBL29531994 0.79 HTR7 (0.61) ALDH1A1CYP2D6CYP2C19CYP1A2ALDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7320993-B1 Aryl-substituted pyridylalkane, alkene, and alkine carboxamides useful as cytostatic useful as cytostatic and immuosuppressive agents ASTELLAS DEUTSCHLAND GMBH (DE) 2008-01-22 US disclosed
US-7320993-B1 Aryl-substituted pyridylalkane, alkene, and alkine carboxamides useful as cytostatic useful as cytostatic and immuosuppressive agents ASTELLAS DEUTSCHLAND GMBH (DE) 2008-01-22 US disclosed
US-7276606-B2 Phenantridine analogues and uses thereof 4SC AG (DE) 2007-10-02 US disclosed
EP-1652841-A1 Novel phenantridine analogues and their use as inhibitors of hyperproliferation of T cells and/or keratinocytes Switch Biotech Aktiengesellschaft (DE) 2006-05-03 EP disclosed
US-20050282801-A1 Novel phenantridine analogues and uses thereof SWITCH BIOTECH AG (DE) 2005-12-22 US 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-20050282801-A1 Novel phenantridine analogues and uses thereof P2RX4, P2RX5, CLIC4 ALDH1A1 2566/4885CYP2D6 609/4885CYP2C19 1051/4885

“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.