SCHEMBL415485

SCHEMBL415485

O=C(O)c1c[nH]nc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.44
ALOX15 P16050 2/20 0.43
ALDH1A1 P00352 3/20 0.43
TP53 P04637 1/20 0.41
KDM4A O75164 1/20 0.41
KDM5A P29375 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
PTGS1 P23219 1/20 0.40
MAP2K4 P45985 1/20 0.40
NR4A2 P43354 1/20 0.40
HNF4A P41235 3/20 0.39
ACMSD Q8TDX5 2/20 0.39
ATM Q13315 2/20 0.39
MAPT P10636 1/20 0.39
GFER P55789 1/20 0.39
DHFR P00374 1/20 0.39

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
Ethylene SCHEMBL27448159 0.96 KDM4E (0.51) KDM4ELMNASMN1; SMN2POLBALOX15
SCHEMBL7729548 0.89 KDM4E (0.50) KDM4ELMNASMN1; SMN2POLBALOX15
SCHEMBL27717172 0.88 ACMSD (0.50) KDM4ELMNAKDM4AKDM5AKDM4C
SCHEMBL8189644 0.88 CDC25B (0.49) KDM4ELMNASMN1; SMN2POLBALOX15
SCHEMBL1729990 0.87 DHODH (0.49) KDM4ELMNAMCL1
SCHEMBL7666259 0.85 KDM4E (0.47) KDM4ELMNASMN1; SMN2ALOX15ALDH1A1
SCHEMBL11957361 0.85 SMN1; SMN2 (0.49) KDM4ELMNASMN1; SMN2ALOX15ALDH1A1
SCHEMBL27579261 0.85 TPMT (0.43) KDM4ELMNASMN1; SMN2POLBALDH1A1
SCHEMBL9519620 0.84 CA12 (0.45) KDM4ELMNASMN1; SMN2ALOX15ALDH1A1
SCHEMBL16974002 0.84 SMN1; SMN2 (0.46) KDM4ELMNASMN1; SMN2POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3820867-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS Fondazione Istituto Italiano di Tecnologia (IT) 2021-05-19 EP disclosed
EP-3774737-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF Blade Therapeutics, Inc. (US) 2021-02-17 EP disclosed
CN-111592529-A Phenyl pyrazole amide derivative and preparation method and application thereof 安阳师范学院 2020-08-28 CN disclosed
WO-2020012427-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2020-01-16 WO disclosed
WO-2019190885-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2019-10-03 WO disclosed
CN-107903251-A Pyrazole formylamine derivate as the TAAR conditioning agents for treating several conditions such as depression, diabetes and Parkinson's 霍夫曼-拉罗奇有限公司 2018-04-13 CN disclosed
CN-103649053-B Aminomethyl quinolone compounds 霍夫曼-拉罗奇有限公司 2017-07-04 CN disclosed
EP-2410858-B1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2016-09-07 EP disclosed
US-8946231-B2 P2X3, receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2015-02-03 US disclosed
CN-103649053-A Aminomethyl quinolone compounds HOFFMANN LA ROCHE 2014-03-19 CN disclosed
CN-102659774-A Piperidine and piperazine derivatives as P2X3 antagonists HOFFMANN LA ROCHE 2012-09-12 CN disclosed
EP-2410858-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN Merck Sharp & Dohme Corp. (US) 2012-02-01 EP disclosed
US-20120021074-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2012-01-26 US disclosed
US-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2010-09-30 US disclosed
WO-2010111059-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2010-09-30 WO disclosed
EP-2134676-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE Addex Pharma SA (CH) 2009-12-23 EP disclosed
WO-2008117175-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2008-10-02 WO disclosed
EP-0540614-A1 3-(1-SUBSTITUTEDPYRAZOYL)-2-OXINDOLE DERIVATIVES. PFIZER (US) 1993-05-12 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 (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-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE FSHR, GNRHR, SHBG KDM4E 1395/4885LMNA 1819/4885SMN1; SMN2 4686/4885
US-20120021074-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 KDM4E 3919/4885LMNA 4001/4885SMN1; SMN2 2075/4885

“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.