Sugi Predict

Sugi Predict / Compounds / SCHEMBL3146895

SCHEMBL3146895

SCHEMBL3146895

COc1ccc(NC(=O)NCCCl)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 4/20 0.66
▸ CNR1 P21554 2/20 0.66
▸ SMN1; SMN2 Q16637 4/20 0.66
▸ NPC1 O15118 3/20 0.66
▸ RAB9A P51151 3/20 0.66
▸ MAPT P10636 2/20 0.64
▸ CASR P41180 1/20 0.62
▸ SAE1 Q9UBE0 1/20 0.59
▸ UBA2 Q9UBT2 1/20 0.59
▸ GAA P10253 1/20 0.56
▸ KDM4E B2RXH2 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ CA12 O43570 1/20 0.54
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54
▸ CA4 P22748 1/20 0.54
▸ CA7 P43166 1/20 0.54

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
SCHEMBL2235070 0.87 SMN1; SMN2 (0.61) FPR2CNR1SMN1; SMN2NPC1RAB9A
SCHEMBL2237256 0.87 SMN1; SMN2 (0.61) FPR2CNR1SMN1; SMN2NPC1RAB9A
SCHEMBL8577837 0.85 SMN1; SMN2 (0.68) FPR2CNR1SMN1; SMN2NPC1RAB9A
SCHEMBL20708118 0.85 SMN1; SMN2 (0.68) FPR2CNR1SMN1; SMN2NPC1RAB9A
SCHEMBL6696313 0.84 MAPT (0.63) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL1912325 0.84 CNR1 (0.67) FPR2CNR1SMN1; SMN2NPC1RAB9A
SCHEMBL3557866 0.83 MAPT (0.59) SMN1; SMN2NPC1RAB9AMAPTCASR
SCHEMBL10598972 0.83 SMN1; SMN2 (0.64) FPR2CNR1SMN1; SMN2NPC1RAB9A
SCHEMBL16562079 0.83 FPR2 (0.86) FPR2CNR1SMN1; SMN2NPC1RAB9A
SCHEMBL6691828 0.82 HTT (0.69) CNR1SMN1; SMN2NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1418896-A2 ADMINISTRATION OF PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF PREMATURE EJACULATION Vivus, Inc. (US) 2004-05-19 — — EP claimed
WO-2003000343-A2 ADMINISTRATION OF PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF PREMATURE EJACULATION VIVUS, INC. (US) 2003-01-03 — — WO claimed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 — — US disclosed
CN-101321529-B Diaryl aether derivant as antineoplastic agent OTSUKA PHARMA CO LTD 2012-09-05 — — CN disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 — — US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 — — US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 — — US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 — — US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 — — US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 — — US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 — — US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 — — WO disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 — — EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 — — WO disclosed
US-20050250853-A1 Beta-tubulin inhibitors GAUDREAULT RENE C 2005-11-10 — — US disclosed
WO-2004106292-A1 HALOETHYL UREA COMPOUNDS AND THEIR USE TO ATTENUATE, INHIBIT OR PREVENT NON-CANCEROUS PATHOGENIC CELLULAR PROLIFERATION AND DISEASES ASSOCIATED THEREWITH IMOTEP INC. (CA) 2004-12-09 — — WO disclosed
WO-2004106291-A1 HALOETHYL UREA COMPOUNDS AND THE USE THEREOF TO ATTENUATE, INHIBIT OR PREVENT CANCER CELL MIGRATION IMOTEP INC. (CA) 2004-12-09 — — WO disclosed
US-20020115722-A1 SS tubulin inhibitors SOVAR, SOCIETE EN COMMANDITE (CA) 2002-08-22 — — US disclosed
WO-2001047504-A2 β-TUBELIN INHIBITORS AND THEIR USE AGAINST CANCER UNIVERSITé LAVAL (CA) 2001-07-05 — — WO disclosed
US-4059697-A N-(Substituted)aminocarbonyl O,S-dialkyl phosphoramido(di)thioates and method of controlling arthropods ROHM AND HAAS COMPANY (US) 1977-11-22 — — US 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 (4 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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 FPR2 330/4885CNR1 26/4885SMN1; SMN2 4313/4885
US-20050250853-A1 Beta-tubulin inhibitors TUBB, TUBB1, TUBB3 FPR2 4750/4885CNR1 4563/4885SMN1; SMN2 2087/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 FPR2 2379/4885CNR1 107/4885SMN1; SMN2 3224/4885
US-20020115722-A1 SS tubulin inhibitors TUBB1, TUBB, TUBB3 FPR2 4817/4885CNR1 4521/4885SMN1; SMN2 1155/4885

“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.