SCHEMBL2881809

SCHEMBL2881809

Cc1ccc(C=C[N+](=O)[O-])cc1C

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 14/20 0.63
EGFR P00533 3/20 0.58
ABL1 P00519 1/20 0.58
ABL2 P42684 1/20 0.58
VCP P55072 5/20 0.57
NPC1 O15118 1/20 0.56
MTOR P42345 1/20 0.56
RAB9A P51151 1/20 0.56
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
GALR2 O43603 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
SYK P43405 1/20 0.53
NPSR1 Q6W5P4 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
SCHEMBL2881805 1.00 FBP1 (0.63) FBP1EGFRABL1ABL2VCP
SCHEMBL2027152 0.84 EGFR (0.72) FBP1EGFRABL1ABL2VCP
SCHEMBL1975634 0.84 FBP1 (0.58) FBP1EGFRABL1ABL2VCP
SCHEMBL1976021 0.84 FBP1 (0.58) FBP1EGFRABL1ABL2VCP
SCHEMBL1975635 0.84 FBP1 (0.58) FBP1EGFRABL1ABL2VCP
SCHEMBL1976020 0.84 FBP1 (0.58) FBP1EGFRABL1ABL2VCP
SCHEMBL2027151 0.84 EGFR (0.72) FBP1EGFRABL1ABL2VCP
SCHEMBL3100099 0.81 VCP (0.77) FBP1EGFRABL1ABL2VCP
SCHEMBL3100101 0.81 VCP (0.77) FBP1EGFRABL1ABL2VCP
SCHEMBL6815701 0.81 ALDH1A1 (0.58) FBP1EGFRABL1ABL2VCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111116613-B Polysubstituted benzimidazole thiazole and derivative and synthesis method thereof 湘潭大学 2021-04-23 CN claimed
CN-111116613-A Polysubstituted benzimidazole thiazole and derivative and synthesis method thereof 湘潭大学 2020-05-08 CN claimed
CN-111116613-B Polysubstituted benzimidazole thiazole and derivative and synthesis method thereof 湘潭大学 2021-04-23 CN disclosed
CN-111116613-A Polysubstituted benzimidazole thiazole and derivative and synthesis method thereof 湘潭大学 2020-05-08 CN disclosed
US-9206124-B2 Treatment of drug-resistant cancer with 2-aryl-2-(3-indolyl) acetohydroxamates NEW MEXICO TECHNICAL RESEARCH FOUNDATION (US) 2015-12-08 US disclosed
US-20150105439-A1 TREATMENT OF DRUG-RESISTANT CANCER WITH 2-ARYL-2-(3-INDOLYL) ACETOHYDROXAMATES NEW MEXICO TECH UNIVERSITY RESEARCH PARK CORPORATION 2015-04-16 US disclosed
US-7803827-B2 1-N-amino-2-imidazolidinones and derivatives thereof which are effective as Kv1.5 potassium channel inhibitors providing atrial-selective antiarrhythmic agents; 1-(aminosulfonylamino)-3-[2-(4-methoxyphenyl)ethyl]-4-(3,4-dimethylphenyl)-2-imidazolidinone WYETH LLC (US) 2010-09-28 US disclosed
US-7504517-B2 Kv1.5 potassium channel inhibitors WYETH (US) 2009-03-17 US disclosed
US-20090069342-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2009-03-12 US disclosed
US-20070299120-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2007-12-27 US disclosed
US-3978143-A PROCESS FOR PREPARING DIARYLDINITROETHYLENES GULF RESEARCH & DEVELOPMENT COMPANY (US) 1976-08-31 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 (3 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-20150105439-A1 TREATMENT OF DRUG-RESISTANT CANCER WITH 2-ARYL-2-(3-INDOLYL) ACETOHYDROXAMATES AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ABCC1 FBP1 4633/4885EGFR 17/4885ABL1 211/4885
US-20070299120-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS KCNJ2, KCNK5, KCNH2 FBP1 4708/4885EGFR 4676/4885ABL1 611/4885
US-20090069342-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS KCNJ2, KCNK5, KCNH2 FBP1 4708/4885EGFR 4676/4885ABL1 611/4885

“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.