SCHEMBL505544

SCHEMBL505544

Cn1c(-c2ccc(-c3ccccc3)cc2)nc2cccc(C(=O)O)c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 10/20 1.00
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ALDH1A1 P00352 2/20 0.43
PTGER1 P34995 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL10175143 0.84 DHODH (0.72) DHODHALDH1A1KDM4ERAB9A
SCHEMBL4793832 0.79 DHODH (0.65) DHODHHDAC1HDAC8HDAC6KDM4E
SCHEMBL17896671 0.78 DHODH (0.64) DHODHALDH1A1KDM4E
SCHEMBL505230 0.77 DHODH (0.63) DHODHHDAC1HDAC8HDAC6ALDH1A1
SCHEMBL1104852 0.77 DHODH (0.61) DHODHADORA2AADORA2BALDH1A1KDM4E
SCHEMBL22453145 0.75 DHODH (0.60) DHODHADORA2AADORA2BALDH1A1KDM4E
SCHEMBL1078934 0.74 DHODH (0.59) DHODHALDH1A1KDM4ETP53RAB9A
SCHEMBL10175108 0.73 DHODH (0.57) DHODHADORA2AADORA2BALDH1A1KDM4E
SCHEMBL29281090 0.72 DHODH (0.57) DHODHALDH1A1KDM4ENPC1TP53
SCHEMBL9611665 0.72 ALDH1A1 (0.75) DHODHHDAC1HDAC8HDAC6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414328-B1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO SA (CH) 2021-05-26 EP disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
US-20150011774-A1 PROCESS FOR THE PREPARATION OF AZILSARTAN MEDOXOMIL OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF RANBAXY LABORATORIES LIMITED (IN) 2015-01-08 US disclosed
EP-2414328-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS Merck Serono S.A. (CH) 2012-02-08 EP disclosed
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 US disclosed
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 US disclosed
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 US disclosed
WO-2010115736-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2010-10-14 WO disclosed
WO-2010115736-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2010-10-14 WO disclosed
EP-1685126-A2 PREPARATION OF CANDESARTAN CILEXETIL Teva Pharmaceutical Industries Limited (IL) 2006-08-02 EP disclosed
WO-2005037821-A2 PREPARATION OF CANDESARTAN CILEXETIL TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2005-04-28 WO disclosed
US-6686383-B2 TREATMENT OF DIABETIC NEPHROPATHY WITH A BIPHENYL-4-YL)ALKYL-1H-BENZIMIDAZOLE COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 2004-02-03 US disclosed
US-20020022587-A1 Methods for effecting neuroprotection QUEEN'S UNIVERSITY AT KINGSTON (CA) 2002-02-21 US disclosed
WO-2001072335-A2 METHODS FOR EFFECTING NEUROPROTECTION USING A POTASSIUM CHANNEL MODULATOR QUEEN'S UNIVERSITY AT KINGSTON (CA) 2001-10-04 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 (2 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-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, FH, DPYD DHODH 1/4885HDAC1 333/4885HDAC8 1363/4885
US-20150011774-A1 PROCESS FOR THE PREPARATION OF AZILSARTAN MEDOXOMIL OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF REN, AGTR2, CYP4A11 DHODH 135/4885HDAC1 4027/4885HDAC8 3094/4885

“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.