SCHEMBL40825

SCHEMBL40825

CC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.79
MAPT P10636 3/20 0.68
RAB9A P51151 2/20 0.68
HPGD P15428 1/20 0.68
MAOB P27338 2/20 0.68
SRD5A2 P31213 1/20 0.66
MEN1 O00255 6/20 0.61
KMT2A Q03164 6/20 0.61
NPC1 O15118 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
LMNA P02545 1/20 0.61
NPSR1 Q6W5P4 1/20 0.58
MYOC Q99972 1/20 0.58
HSPB1 P04792 1/20 0.58
POLB P06746 1/20 0.57
KDM4E B2RXH2 1/20 0.56
CES1 P23141 1/20 0.55
MAOA P21397 1/20 0.54
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53

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
SCHEMBL27765 0.89 MAPK1 (1.00) MAPK1MAPTMAOBSRD5A2MEN1
Ammonia Solution, Strong SCHEMBL17180526 0.87 MAPK1 (0.96) MAPK1MAPTMAOBSRD5A2MEN1
Bromide SCHEMBL8031021 0.87 MAPK1 (0.96) MAPK1MAPTMAOBSRD5A2MEN1
Methyl Alcohol SCHEMBL28098714 0.87 MAPK1 (0.96) MAPK1MAPTMAOBSRD5A2MEN1
SCHEMBL10943864 0.85 SRD5A2 (0.87) MAPK1MAPTRAB9ASRD5A2MEN1
Acetic Acid SCHEMBL28719519 0.85 MAPK1 (0.92) MAPK1MAPTMAOBSRD5A2MEN1
SCHEMBL6986709 0.85 KMT2A (0.72) MAPK1MAPTRAB9AHPGDMAOB
SCHEMBL4457648 0.84 MAOB (0.64) MAPK1MAPTRAB9AHPGDMAOB
SCHEMBL10628045 0.84 SRD5A2 (0.59) MAPK1MAPTRAB9AMAOBSRD5A2
SCHEMBL28561063 0.84 SRD5A2 (0.90) MAPK1MAPTRAB9ASRD5A2MEN1

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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117143339-A Preparation method of polyimide film material containing furan pyridine structure 沈阳化工大学 2023-12-01 CN claimed
CN-103788008-B The preparation method of the diamine compound containing thiazole ring 中国科学院兰州化学物理研究所 2017-07-14 CN claimed
CN-117143339-A Preparation method of polyimide film material containing furan pyridine structure 沈阳化工大学 2023-12-01 CN disclosed
CN-105714409-B A kind of molecule based on electrospinning assembles the preparation method of poly- pyrrole throat/polyimides composite nano fiber 江西师范大学 2019-01-29 CN disclosed
EP-2755722-B1 NOVEL SGLT INHIBITORS PANACEA BIOTEC LTD (IN) 2017-05-24 EP disclosed
CN-105714409-A Electrospinning-based preparation method of molecule-assembling polypyrrolone/polyimide composite nano fibers 江西师范大学 2016-06-29 CN disclosed
US-9018249-B2 SGLT inhibitors PANACEA BIOTEC LIMITED (IN) 2015-04-28 US disclosed
US-20140378540-A1 NOVEL SGLT INHIBITORS PANACEA BIOTEC PHARMA LIMITED (IN) 2014-12-25 US disclosed
US-20140329866-A1 OMEGA-CARBOXYARL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BAYER HEALTHCARE LLC (US) 2014-11-06 US disclosed
US-8841330-B2 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER HEALTHCARE LLC (US) 2014-09-23 US disclosed
EP-2755722-A2 NOVEL SGLT INHIBITORS Panacea Biotec Ltd. (IN) 2014-07-23 EP disclosed
EP-1158985-A1 OMEGA-CARBOXY ARYL SUBSTITUTED DIPHENYL UREAS AS p38 KINASE INHIBITORS Bayer Corporation (US) 2001-12-05 EP disclosed
US-20010034447-A1 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER HEALTHCARE LLC 2001-10-25 US disclosed
EP-1140840-A1 -G(V)-CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS Bayer Corporation (US) 2001-10-10 EP disclosed
US-20010027202-A1 Omega-carboxyaryl substituted disphenyl ureas as raf kinase inhibitors BAYER HEALTHCARE LLC 2001-10-04 US disclosed
US-20010016659-A1 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER HEALTHCARE LLC 2001-08-23 US disclosed
US-20010011135-A1 Omega-carboxyaryl subsituted diphenyl ureas as raf kinase inhibitors BAYER HEALTHCARE LLC 2001-08-02 US disclosed
US-20010011136-A1 omega-carboxyyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER HEALTHCARE LLC 2001-08-02 US disclosed
WO-2000041698-A1 φ-CARBOXY ARYL SUBSTITUTED DIPHENYL UREAS AS p38 KINASE INHIBITORS BAYER CORPORATION (US) 2000-07-20 WO disclosed
WO-2000042012-A1 φ-CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BAYER CORPORATION (US) 2000-07-20 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 (7 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-20010011135-A1 Omega-carboxyaryl subsituted diphenyl ureas as raf kinase inhibitors BRAF, RAF1, ARAF MAPK1 447/4885MAPT 2180/4885RAB9A 1936/4885
US-20010011136-A1 omega-carboxyyaryl substituted diphenyl ureas as raf kinase inhibitors BRAF, ARAF, RAF1 MAPK1 356/4885MAPT 2754/4885RAB9A 1400/4885
US-20010034447-A1 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BRAF, RAF1, ARAF MAPK1 564/4885MAPT 2299/4885RAB9A 2093/4885
US-20010016659-A1 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BRAF, RAF1, ARAF MAPK1 564/4885MAPT 2299/4885RAB9A 2093/4885
US-20140329866-A1 OMEGA-CARBOXYARL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF MAPK1 286/4885MAPT 2474/4885RAB9A 2639/4885
US-20010027202-A1 Omega-carboxyaryl substituted disphenyl ureas as raf kinase inhibitors BRAF, NRAS, ARAF MAPK1 391/4885MAPT 2928/4885RAB9A 1099/4885
US-20140378540-A1 NOVEL SGLT INHIBITORS SLC5A1, SLC5A2, SLC2A1 MAPK1 539/4885MAPT 65/4885RAB9A 2327/4885

“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.