SCHEMBL7091807

SCHEMBL7091807

C=CCc1c(N)cc2ccc3cccc4ccc1c2c34

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.43
CYP1A2 P05177 4/20 0.42
ERBB2 P04626 1/20 0.42
FYN P06241 1/20 0.42
MAOA P21397 1/20 0.42
ACHE P22303 1/20 0.42
AHR P35869 1/20 0.42
ALDH1A1 P00352 4/20 0.37
HPGD P15428 4/20 0.37
HSD17B10 Q99714 4/20 0.37
CYP3A4 P08684 2/20 0.37
TSHR P16473 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A1 P04798 2/20 0.34
CYP1B1 Q16678 2/20 0.34
KDM4E B2RXH2 2/20 0.33
MTNR1A P48039 1/20 0.33
THRB P10828 1/20 0.33
GUSB P08236 1/20 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
SCHEMBL4488247 0.83 CYP1A2 (0.43) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL5748229 0.80 CYP1A2 (0.47) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL728402 0.73 KMT2A (0.47) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL140925 0.72 CYP1A2 (0.53) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL29362422 0.72 CYP1A2 (0.53) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL2127180 0.72 KDM4E (0.50) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL1685061 0.72 GABRA1 (0.45) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL5746968 0.72 ALDH1A1 (0.41) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL5748700 0.72 ALDH1A1 (0.41) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL5745677 0.72 ALDH1A1 (0.41) CYP1A2ERBB2FYNMAOAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032265-B1 NEW PSORALENS FOR PATHOGEN INACTIVATION CERUS CORP (US) 2003-10-29 EP disclosed
US-20030082510-A1 Psoralens for pathogen inactivation CERUS CORPORATION (US) 2003-05-01 US disclosed
US-6455286-B1 MIXING PSORALEN COMPOUND OF DEFINED STRUCTURE WITH BIOLOGICAL COMPOSITION SUCH AS BLOOD OR PLATELETS, THEN PHOTOACTIVATING COMPOUND TO DEACTIVATE PATHOGEN CERUS CORPORATION 2002-09-24 US disclosed
EP-1032265-A4 NEW PSORALENS FOR PATHOGEN INACTIVATION CERUS CORP (US) 2001-05-30 EP disclosed
US-6133460-A HAVE PRIMARY AMINO SUBSTITUTIONS ON THE 3-, 4-, 5-, AND 8-POSITIONS OF THE PSORALEN WHICH PERMIT BINDING TO NUCLEIC ACID OF PATHOGENS; CONDITIONS THAT PHOTOACTIVATE THESE PSORALENS RESULT IN INACTIVATION OF PATHOGENS WHICH CONTAIN NUCLEIC ACID CERUS CORPORATION (US) 2000-10-17 US disclosed
EP-1032265-A1 NEW PSORALENS FOR PATHOGEN INACTIVATION Cerus Corporation (US) 2000-09-06 EP disclosed
WO-1999026476-A1 NEW PSORALENS FOR PATHOGEN INACTIVATION CERUS CORPORATION (US) 1999-06-03 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-20030082510-A1 Psoralens for pathogen inactivation BPGM, XPA, RAD50 IMPDH2 368/4885CYP1A2 1542/4885ERBB2 4639/4885

“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.