SCHEMBL6995029

SCHEMBL6995029

O=c1oc2cc3occc3cc2cc1CBr

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.54
CYP2A6 P11509 3/20 0.54
CYP3A4 P08684 2/20 0.54
HSD17B10 Q99714 2/20 0.54
ACHE P22303 2/20 0.54
KDM4E B2RXH2 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
NFKB1 P19838 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTT P42858 1/20 0.50
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
PTPN1 P18031 3/20 0.38
MAOB P27338 1/20 0.38
NPC1 O15118 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
RAB9A P51151 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
SCHEMBL8936325 0.86 MAOA (0.56) MAOACYP2A6CYP3A4HSD17B10ACHE
SCHEMBL6991403 0.84 MAOA (0.54) MAOACYP2A6CYP3A4HSD17B10ACHE
SCHEMBL7003510 0.84 MAOA (0.54) MAOACYP2A6CYP3A4HSD17B10ACHE
SCHEMBL4247907 0.84 MAOA (0.54) MAOACYP2A6CYP3A4HSD17B10ACHE
SCHEMBL7830030 0.79 CYP2A6 (0.59) MAOACYP2A6CYP3A4HSD17B10ACHE
SCHEMBL3467047 0.76 CYP3A4 (0.59) MAOACYP2A6CYP3A4HSD17B10ACHE
SCHEMBL5488820 0.76 CYP2A6 (0.59) MAOACYP2A6CYP3A4HSD17B10ACHE
SCHEMBL4235603 0.76 CYP3A4 (0.59) MAOACYP2A6CYP3A4HSD17B10ACHE
SCHEMBL11392904 0.76 HTT (0.51) MAOACYP2A6CYP3A4HSD17B10ACHE
SCHEMBL10405182 0.76 MAOA (0.44) MAOACYP2A6CYP3A4HSD17B10ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012164484-A1 ADENOSINE OR DEOXYADENOSINE DERIVATIVES MODIFIED AT POSITION 8 AND A METHOD OF SYNTHESIS THEREOF CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 2012-12-06 WO disclosed
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-1133498-A2 AMINO-AND MERCURIO-SUBSTITUTED 4', 5'-DIHYDROPSORALENS AND THERAPEUTICAL USES THEREOF BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) 2001-09-19 EP 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-2000031081-A2 AMINO- AND MERCURIO-SUBSTITUTED 4',5'-DIHYDROPSORALENS AND THERAPEUTICAL USES THEREOF BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) 2000-06-02 WO 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 MAOA 2213/4885CYP2A6 1441/4885CYP3A4 544/4885

“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.