SCHEMBL4753992

SCHEMBL4753992

CCOC(=O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 1.00
KDM4E B2RXH2 5/20 0.73
ALDH1A1 P00352 9/20 0.70
LMNA P02545 2/20 0.63
HTT P42858 3/20 0.61
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
KMT2A Q03164 5/20 0.58
MEN1 O00255 4/20 0.58
HPGD P15428 2/20 0.57
CYP1A2 P05177 1/20 0.57
GLA P06280 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
USP2 O75604 2/20 0.55
HSD17B10 Q99714 1/20 0.55
ALOX15 P16050 2/20 0.51
NPC1 O15118 1/20 0.51
THRB P10828 1/20 0.50

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
SCHEMBL14848302 0.90 RECQL (0.81) RECQLKDM4EALDH1A1LMNAHTT
SCHEMBL4788204 0.88 RECQL (0.78) RECQLKDM4EALDH1A1LMNAHTT
SCHEMBL8177892 0.86 RECQL (0.76) RECQLKDM4EALDH1A1LMNAGAA
SCHEMBL4755180 0.86 RECQL (0.76) RECQLKDM4EALDH1A1LMNAGAA
SCHEMBL2383886 0.84 KDM4E (1.00) RECQLKDM4EALDH1A1LMNAHTT
SCHEMBL11639579 0.84 RECQL (0.72) RECQLKDM4EALDH1A1LMNAHTT
SCHEMBL30099678 0.83 ALDH1A1 (1.00) RECQLKDM4EALDH1A1LMNAHTT
SCHEMBL29943809 0.83 ALDH1A1 (0.76) RECQLKDM4EALDH1A1LMNAHTT
SCHEMBL27031265 0.83 ALDH1A1 (0.76) RECQLKDM4EALDH1A1LMNAHTT
SCHEMBL1061607 0.83 ALDH1A1 (1.00) RECQLKDM4EALDH1A1LMNAHTT

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
US-4273930-A INTERMEDIATES FOR THE 4-ALKOXY ANTIALLERGENS SANDOZ, INC. (US) 1981-06-16 US claimed
CN-101466681-A Tumor necrosis factor alpha inhibitors and their use in the treatment of human diseases AVANIR PHARMACEUTICALS (US) 2009-06-24 CN disclosed
EP-1996553-A2 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES Avanir Pharmaceuticals (US) 2008-12-03 EP disclosed
US-20080139551-A1 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES AVANIR PHARMACEUTICALS (US) 2008-06-12 US disclosed
WO-2007109251-A2 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES AVANIR PHARMACEUTICALS (US) 2007-09-27 WO disclosed
EP-0458636-B1 Antiemetic and migraine suppressing heterocyclic compounds and pharmaceutical compositions containing them KYOWA HAKKO KOGYO KK (JP) 1995-07-12 EP disclosed
US-5248684-A CERTAIN 2-OXO-QUINOLINE CARBOXYLATES OR CORRESPONDING CARBOXAMIDES USEFUL AS ANTI-EMETICS AND SUPPRESSANTS OF MIGRAINE KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-09-28 US disclosed
EP-0458636-A1 Antiemetic and migraine suppressing heterocyclic compounds and pharmaceutical compositions containing them KYOWA HAKKO KOGYO CO., LTD (JP) 1991-11-27 EP disclosed
US-4273930-A INTERMEDIATES FOR THE 4-ALKOXY ANTIALLERGENS SANDOZ, INC. (US) 1981-06-16 US disclosed
US-4190659-A ANTIALLERGENS, ANTIHISTAMINES SANDOZ, INC. (US) 1980-02-26 US 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-20080139551-A1 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES TNF, TNFRSF1A, TNFRSF9 RECQL 3348/4885KDM4E 4691/4885ALDH1A1 2365/4885

“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.