SCHEMBL620688

SCHEMBL620688

COC(=O)c1cccnc1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.69
L3MBTL1 Q9Y468 2/20 0.55
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 1/20 0.47
DRD1 P21728 1/20 0.47
GAA P10253 1/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MYOC Q99972 1/20 0.45
MAPK8 P45983 1/20 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
SCHEMBL20818012 0.82 TDP1 (1.00) TDP1RAB9AALDH1A1GAAKMT2A
SCHEMBL7373227 0.81 TDP1 (0.76) TDP1RAB9AALDH1A1GAAKMT2A
SCHEMBL620646 0.81 TDP1 (0.76) TDP1RAB9AALDH1A1DRD1GAA
SCHEMBL28069342 0.81 TDP1 (0.76) TDP1L3MBTL1RAB9AALDH1A1DRD1
SCHEMBL28734386 0.79 TDP1 (0.72) TDP1RAB9AALDH1A1DRD1GAA
SCHEMBL5749934 0.79 TDP1 (0.72) TDP1L3MBTL1RAB9AALDH1A1DRD1
SCHEMBL10922122 0.79 KMT2A (0.51) TDP1RAB9AALDH1A1LMNAMEN1
SCHEMBL537548 0.78 CNR2 (0.49) TDP1L3MBTL1RAB9AALDH1A1GAA
SCHEMBL7366718 0.78 TDP1 (0.71) TDP1RAB9AALDH1A1DRD1GAA
SCHEMBL5214725 0.77 ALDH1A1 (0.57) TDP1ALDH1A1GAALMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12630525-B2 Triazinylmethylcycloalkylcarboxylic acid derivative, and pharmaceutical composition and use thereof SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2026-05-19 US disclosed
EP-4349816-A1 TRIAZINYLMETHYLCYCLOALKYLCARBOXYLIC ACID DERIVATIVE, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) 2024-04-10 EP disclosed
CN-117425643-A Triazinylmethyl cycloalkyl carboxylic acid derivatives, pharmaceutical compositions and uses thereof 上海海雁医药科技有限公司 2024-01-19 CN 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
US-20120142742-A1 OMEGA-CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BAYER HEALTHERCARE LLC (US) 2012-06-07 US disclosed
EP-2298311-B1 w-Carboxy aryl substituted diphenyl ureas as p38 kinase inhibitors BAYER HEALTHCARE LLC (US) 2012-05-09 EP disclosed
US-8124630-B2 ω-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER HEALTHCARE LLC (US) 2012-02-28 US disclosed
US-20120040986-A1 OMEGA CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS RIEDL BERND (DE) 2012-02-16 US disclosed
EP-1158985-B1 OMEGA-CARBOXY ARYL SUBSTITUTED DIPHENYL UREAS AS p38 KINASE INHIBITORS BAYER HEALTHCARE LLC (US) 2011-12-28 EP disclosed
CN-1341098-A Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER AG (US) 2002-03-20 CN 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 (9 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 TDP1 2122/4885L3MBTL1 2594/4885RAB9A 1936/4885
US-20010011136-A1 omega-carboxyyaryl substituted diphenyl ureas as raf kinase inhibitors BRAF, ARAF, RAF1 TDP1 1912/4885L3MBTL1 2285/4885RAB9A 1400/4885
US-20010034447-A1 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BRAF, RAF1, ARAF TDP1 2388/4885L3MBTL1 2791/4885RAB9A 2093/4885
US-20010016659-A1 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BRAF, RAF1, ARAF TDP1 2388/4885L3MBTL1 2791/4885RAB9A 2093/4885
US-20140329866-A1 OMEGA-CARBOXYARL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF TDP1 2178/4885L3MBTL1 2098/4885RAB9A 2639/4885
US-20010027202-A1 Omega-carboxyaryl substituted disphenyl ureas as raf kinase inhibitors BRAF, NRAS, ARAF TDP1 2310/4885L3MBTL1 2856/4885RAB9A 1099/4885
US-20120040986-A1 OMEGA CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BRAF, NRAS, RAF1 TDP1 2300/4885L3MBTL1 2549/4885RAB9A 2215/4885
US-12630525-B2 Triazinylmethylcycloalkylcarboxylic acid derivative, and pharmaceutical composition and use thereof P2RX3, P2RX1, P2RX2 TDP1 3089/4885L3MBTL1 4730/4885RAB9A 3407/4885
US-20120142742-A1 OMEGA-CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF TDP1 2388/4885L3MBTL1 2791/4885RAB9A 2093/4885

“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.