SCHEMBL3535265

SCHEMBL3535265

O=C(c1cccc2nc3ccccc3cc12)n1ccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.42
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 3/20 0.41
GLA P06280 2/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
PTBP1 P26599 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
RCE1 Q9Y256 1/20 0.41
DHODH Q02127 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP11B1 P15538 1/20 0.38

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
SCHEMBL5462961 0.84 HDAC1 (0.41) TBXAS1ALDH1A1LMNAGLAHPGD
SCHEMBL10118094 0.83 ALDH1A1 (0.54) TBXAS1ALDH1A1LMNAKDM4EPOLB
SCHEMBL5449147 0.80 ALDH1A1 (0.54) ALDH1A1KDM4ENPC1GAARAB9A
SCHEMBL30366356 0.78 FAAH (0.44) TBXAS1ALDH1A1LMNAKDM4ECYP3A4
SCHEMBL3536795 0.77 DHODH (0.42) TBXAS1ALDH1A1LMNADHODHCYP1A2
SCHEMBL5457550 0.77 RAD51 (0.40) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL7824907 0.75 ALDH1A1 (0.48) TBXAS1ALDH1A1KDM4EPOLBDHODH
SCHEMBL5467914 0.75 DHODH (0.41) TBXAS1KDM4EDHODHCYP1A2CYP3A4
SCHEMBL222908 0.75 NR4A1 (0.60) ALDH1A1LMNAKDM4EGLAHPGD
SCHEMBL27356901 0.75 ALDH1A1 (0.55) ALDH1A1LMNAKDM4EGLAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110177781-A Bruton's tyrosine kinase inhibitor BIOCAD股份有限公司 2019-08-27 CN disclosed
US-7718576-B2 Peroxide-based chemiluminescent assays and chemiluminescent compounds used therein WALDROP III ALEXANDER A 2010-05-18 US disclosed
CN-1902178-A Therapeutic agents useful for treating pain EURO CELTIQUE SA (LU) 2007-01-24 CN disclosed
CN-1863790-A Therapeutic agents useful for treating pain EURO CELTIQUE SA (LU) 2006-11-15 CN disclosed
CN-1856489-A Phenyl-carboxamide compounds useful for treating pain EURO CELTIQUE SA (LU) 2006-11-01 CN disclosed
CN-1832935-A Therapeutic agent for treating pain EURO CELTIQUE SA (LU) 2006-09-13 CN 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 TBXAS1 1194/4885ALDH1A1 461/4885LMNA 3309/4885

“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.