SCHEMBL6989186

SCHEMBL6989186

O=C1c2ccccc2C(=O)N1Cc1cc2ccc(O)cc2oc1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 10/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ POLB P06746 2/20 0.50
▸ ESR2 Q92731 1/20 0.49
▸ MAOA P21397 2/20 0.48
▸ PTGS1 P23219 1/20 0.48
▸ HSD17B3 P37058 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.46
▸ ATM Q13315 1/20 0.46
▸ ERAP1 Q9NZ08 1/20 0.46
▸ MAOB P27338 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL7093747 0.85 MAOA (0.61) NPC1POLBESR2MAOAALDH1A1
SCHEMBL6995943 0.81 GLA (0.61) NPC1POLBALDH1A1HPGDTDP1
SCHEMBL10405182 0.80 MAOA (0.44) MAOAALDH1A1MAOBKDM4EKMT2A
SCHEMBL7001341 0.78 RAB9A (0.63) NPC1ALDH1A1HPGDMAOBKDM4E
SCHEMBL6995631 0.76 HSD17B3 (0.60) MAOAHSD17B3ALDH1A1TDP1ERAP1
SCHEMBL220708 0.75 HSD17B3 (0.65) MIFNPC1POLBESR2MAOA
SCHEMBL30405545 0.75 HSD17B3 (0.65) MIFNPC1POLBESR2MAOA
SCHEMBL29066603 0.75 ESR2 (0.61) MIFNPC1POLBESR2PTGS1
SCHEMBL28920340 0.75 POLB (0.69) MIFNPC1POLBESR2HSD17B3
SCHEMBL6037595 0.74 POLB (0.59) MIFNPC1POLBESR2PTGS1

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 MIF 2561/4885NPC1 4191/4885POLB 39/4885

“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.

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