SCHEMBL3536795

SCHEMBL3536795

O=C(c1c2ccccc2nc2ccccc12)n1ccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
MAPK1 P28482 1/20 0.41
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41
PDE10A Q9Y233 3/20 0.41
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
ALDH1A1 P00352 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
TBXAS1 P24557 3/20 0.39
CYP24A1 Q07973 1/20 0.39
TSHR P16473 2/20 0.38
PDE5A O76074 1/20 0.37
PTGS1 P23219 1/20 0.37

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
SCHEMBL5000164 0.84 DHODH (0.60) DHODHCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL9668298 0.83 PDE10A (0.47) DHODHCYP2D6CYP2C19PDE10ALMNA
SCHEMBL3535265 0.77 TBXAS1 (0.42) DHODHCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL1424751 0.76 CYP19A1 (0.47) CYP3A4FAAHMGLLTBXAS1CYP24A1
SCHEMBL5467914 0.76 DHODH (0.41) DHODHCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL10118094 0.75 ALDH1A1 (0.54) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL5449147 0.75 ALDH1A1 (0.54) DHODHCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL30366356 0.74 FAAH (0.44) CYP3A4FAAHMGLLLMNAALDH1A1
SCHEMBL31388141 0.74 MGAM (0.51) MAPK1TP53ALDH1A1TSHR
Quinoline SCHEMBL27690684 0.74 ALDH1A1 (0.47) CYP3A4FAAHMGLLALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10696899-B2 Light emitting shell in multi-compartment microcapsules INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2020-06-30 US disclosed
US-20180327659-A1 LIGHT EMITTING SHELL IN SHELL MICROCAPSULES INTERNATIONAL BUSINESS MACHINES CORPORATION 2018-11-15 US disclosed
US-7718576-B2 Peroxide-based chemiluminescent assays and chemiluminescent compounds used therein WALDROP III ALEXANDER A 2010-05-18 US disclosed
EP-1019379-B1 PEROXIDE-BASED CHEMILUMINESCENT ASSAYS AND CHEMILUMINESCENT COMPOUNDS USED THEREIN MAINE MEDICAL CT (US) 2005-10-19 EP disclosed
US-20030219844-A1 Peroxide-based chemiluminescent assays and chemiluminescent compounds used therein MAINE MEDICAL CENTER 2003-11-27 US disclosed
EP-1019379-A4 PEROXIDE-BASED CHEMILUMINESCENT ASSAYS AND CHEMILUMINESCENT COMPOUNDS USED THEREIN MAINE MEDICAL CT (US) 2001-07-04 EP disclosed
EP-1019379-A1 PEROXIDE-BASED CHEMILUMINESCENT ASSAYS AND CHEMILUMINESCENT COMPOUNDS USED THEREIN Maine Medical Center (US) 2000-07-19 EP disclosed
WO-1999009012-A1 PEROXIDE-BASED CHEMILUMINESCENT ASSAYS AND CHEMILUMINESCENT COMPOUNDS USED THEREIN MAINE MEDICAL CENTER (US) 1999-02-25 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-20030219844-A1 Peroxide-based chemiluminescent assays and chemiluminescent compounds used therein CBR1, CBR3, NR2E3 DHODH 2557/4885CYP1A2 415/4885CYP3A4 345/4885

“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.