SCHEMBL2589102

SCHEMBL2589102

O=C1C(=NO)CCCc2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.68
HPGD P15428 2/20 0.68
ALDH1A1 P00352 4/20 0.66
CYP1A2 P05177 1/20 0.66
CYP2C19 P33261 1/20 0.66
CES1 P23141 1/20 0.53
MAOA P21397 2/20 0.53
CYP2A6 P11509 1/20 0.53
MAOB P27338 1/20 0.53
MAPT P10636 6/20 0.49
MIF P14174 2/20 0.49
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TP53 P04637 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
LMNA P02545 1/20 0.47
GAA P10253 2/20 0.44

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
SCHEMBL2589100 1.00 L3MBTL1 (0.68) L3MBTL1HPGDALDH1A1CYP1A2CYP2C19
SCHEMBL7270862 0.89 ALDH1A1 (0.70) L3MBTL1HPGDALDH1A1CYP1A2CYP2C19
SCHEMBL696955 0.89 ALDH1A1 (0.70) L3MBTL1HPGDALDH1A1CYP1A2CYP2C19
SCHEMBL6306459 0.89 ALDH1A1 (0.70) L3MBTL1HPGDALDH1A1CYP1A2CYP2C19
SCHEMBL395524 0.85 L3MBTL1 (0.92) L3MBTL1HPGDALDH1A1CYP1A2CYP2C19
SCHEMBL29757867 0.85 L3MBTL1 (0.92) L3MBTL1HPGDALDH1A1CYP1A2CYP2C19
SCHEMBL5398653 0.85 L3MBTL1 (0.92) L3MBTL1HPGDALDH1A1CYP1A2CYP2C19
SCHEMBL30043171 0.85 L3MBTL1 (0.92) L3MBTL1HPGDALDH1A1CYP1A2CYP2C19
SCHEMBL1204352 0.85 L3MBTL1 (0.92) L3MBTL1HPGDALDH1A1CYP1A2CYP2C19
SCHEMBL2217559 0.81 HPGD (1.00) L3MBTL1HPGDALDH1A1CYP1A2CYP2C19

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
US-9520574-B2 Electroluminescent devices based on phosphorescent iridium and related group VIII metal multicyclic compounds COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2016-12-13 US disclosed
US-20130082248-A1 ELECTROLUMINESCENT DEVICES BASED ON PHOSPHORESCENT IRIDIUM AND RELATED GROUP VIII METAL MULTICYCLIC COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2013-04-04 US disclosed
EP-2564446-A1 ELECTROLUMINESCENT DEVICES BASED ON PHOSPHORESCENT IRIDIUM AND RELATED GROUP VIII METAL MULTICYCLIC COMPOUNDS Commonwealth Scientific and Industrial Research Organisation (AU) 2013-03-06 EP disclosed
EP-2398794-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2011-12-28 EP disclosed
WO-2011134013-A1 ELECTROLUMINESCENT DEVICES BASED ON PHOSPHORESCENT IRIDIUM AND RELATED GROUP VIII METAL MULTICYCLIC COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2011-11-03 WO disclosed
WO-2010096302-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-26 WO disclosed
EP-0399422-A1 Benzocycloalkane derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1990-11-28 EP 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-20130082248-A1 ELECTROLUMINESCENT DEVICES BASED ON PHOSPHORESCENT IRIDIUM AND RELATED GROUP VIII METAL MULTICYCLIC COMPOUNDS ICOSLG, ETV6, ROS1 L3MBTL1 2005/4885HPGD 3462/4885ALDH1A1 798/4885

“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.