SCHEMBL5700280

SCHEMBL5700280

CCCCOC(=O)c1cc(Cl)ccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPT P10636 3/20 0.52
TSHR P16473 4/20 0.49
CYP1A2 P05177 3/20 0.49
CYP2C19 P33261 3/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
KDM4E B2RXH2 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
ESR1 P03372 5/20 0.49
RAB9A P51151 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.46
LMNA P02545 3/20 0.45
CYP2D6 P10635 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL3558624 0.91 ALDH1A1 (0.55) L3MBTL1ALDH1A1MAPTTSHRHPGD
SCHEMBL743661 0.84 L3MBTL1 (0.58) L3MBTL1ALDH1A1MAPTCYP1A2RAB9A
SCHEMBL162735 0.84 TSHR (0.50) L3MBTL1ALDH1A1MAPTTSHRCYP1A2
SCHEMBL15842178 0.84 ESR1 (0.54) L3MBTL1ALDH1A1MAPTTSHRCYP1A2
SCHEMBL15956090 0.84 TSHR (0.50) L3MBTL1ALDH1A1MAPTTSHRCYP1A2
SCHEMBL23189019 0.84 TSHR (0.50) L3MBTL1ALDH1A1MAPTTSHRCYP1A2
SCHEMBL8408330 0.84 L3MBTL1 (0.55) L3MBTL1ALDH1A1MAPTTSHRCYP1A2
Hydrochloric Acid SCHEMBL4217802 0.83 L3MBTL1 (0.56) L3MBTL1ALDH1A1MAPTCYP1A2RAB9A
SCHEMBL5700005 0.82 SMN1; SMN2 (0.50) L3MBTL1ALDH1A1MAPTTSHRCYP1A2
SCHEMBL5700217 0.82 ESR1 (0.50) L3MBTL1ALDH1A1MAPTTSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9078933-B2 Deuterated omega diphenylurea related compounds and intermediates SUZHOU ZELGEN BIOPHARMACEUTICAL CO., LTD. (CN) 2015-07-14 US disclosed
US-20150175545-A1 Preparation Method of Fluoro-Substituted Deuterated Diphenylurea SUZHOU ZELGEN BIOPHARMACEUTICAL CO LTD (CN) 2015-06-25 US disclosed
US-8759531-B2 Preparation method of fluoro-substituted deuterated diphenylurea Suzhou Zelgen Biopharmaccceutical Co., Ltd. (CN) 2014-06-24 US disclosed
US-20140128612-A1 DEUTERATED OMEGA DIPHENYLUREA RELATED COMPOUNDS AND INTERMEDIATES SUZHOU ZELGEN BIOPHARMACEUTICAL CO., LTD. (CN) 2014-05-08 US disclosed
US-8669369-B2 Method and process for preparation and production of deuterated Ω-diphenylurea SUZHOU ZELGEN BIOPHARMACEUTICAL CO., LTD. (CN) 2014-03-11 US disclosed
US-20130060043-A1 PREPARATION METHOD OF FLUORO-SUBSTITUTED DEUTERATED DIPHENYLUREA SUZHOU ZELGEN BIOPHARMACEUTICAL CO., LTD (CN) 2013-03-07 US disclosed
US-20130035492-A1 METHOD AND PROCESS FOR PREPARATION AND PRODUCTION OF DEUTERATED OMEGA-DIPHENYLUREA SUZHOU ZELGEN BIOPHARMACEUTICAL CO., LTD. 2013-02-07 US disclosed
WO-2011113367-A1 METHOD AND PROCESS FOR PREPARATION AND PRODUCTION OF DEUTERATED Ω-DIPHENYLUREA 苏州泽璟生物制药有限公司 (CN) 2011-09-22 WO disclosed
WO-2011113368-A1 PREPARATION METHOD OF FLUORO-SUBSTITUTED DEUTERATED DIPHENYLUREA 苏州泽璟生物制药有限公司 (CN) 2011-09-22 WO disclosed
CN-100515419-C Substituted benzazoles and its application as inhibitors of Raf kinase CHIRON CORP (US) 2009-07-22 CN disclosed
EP-1270582-B1 TRIPHENYLPHOSPHINE DERIVATIVES, PALLADIUM OR NICKEL COMPLEXES THEREOF, AND PROCESS FOR PREPARING BIARYL DERIVATIVES MITSUBISHI RAYON CO (JP) 2006-08-30 EP disclosed
CN-1655779-A substituted indoles and their use as Raf kinase inhibitors CHIRON CORP (US) 2005-08-17 CN disclosed
US-6693210-B2 USING PALLADIUM, NICKEL PHOSPHINE COMPLEX AS CATALYSTS MITSUBISHI RAYON CO., LTD. (JP) 2004-02-17 US disclosed
US-20030065208-A1 Using palladium, nickel phosphine complex as catalysts MITSUBISHI RAYON CO., LTD. (JP) 2003-04-03 US disclosed
EP-1270582-A1 TRIPHENYLPHOSPHINE DERIVATIVE, PRODUCTION PROCESS THEREFOR, PALLADIUM COMPLEX THEREOF, AND PROCESS FOR PRODUCING BIARYL DERIVATIVE Mitsubishi Rayon Co., Ltd. (JP) 2003-01-02 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 (5 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-20030065208-A1 Using palladium, nickel phosphine complex as catalysts PDCD1LG2, PIK3CA, PDCD1 L3MBTL1 3393/4885ALDH1A1 3993/4885MAPT 4407/4885
US-20130060043-A1 PREPARATION METHOD OF FLUORO-SUBSTITUTED DEUTERATED DIPHENYLUREA CCND3, UBE2D3, VDR L3MBTL1 2415/4885ALDH1A1 3553/4885MAPT 4194/4885
US-20130035492-A1 METHOD AND PROCESS FOR PREPARATION AND PRODUCTION OF DEUTERATED OMEGA-DIPHENYLUREA PNLIP, PDXK, PNP L3MBTL1 3368/4885ALDH1A1 2645/4885MAPT 4536/4885
US-20140128612-A1 DEUTERATED OMEGA DIPHENYLUREA RELATED COMPOUNDS AND INTERMEDIATES PNLIP, PDXK, DGKK L3MBTL1 2339/4885ALDH1A1 2354/4885MAPT 4529/4885
US-20150175545-A1 Preparation Method of Fluoro-Substituted Deuterated Diphenylurea CCND3, UBE2D3, VDR L3MBTL1 2415/4885ALDH1A1 3553/4885MAPT 4194/4885

“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.