SCHEMBL4078709

SCHEMBL4078709

CCCCNC(=O)c1cccc2[nH]c(NC(=O)O)nc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.58
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
ALOX5 P09917 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
HPGD P15428 2/20 0.46
RAD52 P43351 1/20 0.45
UHRF1 Q96T88 1/20 0.45
MAOB P27338 2/20 0.44
ADORA2A P29274 2/20 0.44
ADORA2B P29275 1/20 0.44
ADORA1 P30542 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALOX15 P16050 1/20 0.42

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
SCHEMBL2927811 0.89 RIPK1 (0.62) RIPK1TSHRHTTALOX5L3MBTL1
SCHEMBL4239156 0.82 TSHR (0.55) RIPK1TSHRHTTALOX5L3MBTL1
SCHEMBL1200872 0.82 RIPK1 (0.49) RIPK1TSHRHTTALOX5L3MBTL1
SCHEMBL1020813 0.81 KDM4E (0.45) RIPK1TSHRHTTL3MBTL1DRD2
SCHEMBL4239153 0.80 PARP1 (0.53) RIPK1TSHRHTTALOX5DRD2
SCHEMBL3415541 0.77 MAOB (0.50) RIPK1HTTMAOBADORA2AADORA2B
SCHEMBL8967020 0.76 RIPK1 (0.50) RIPK1TSHRHTTALOX5L3MBTL1
SCHEMBL3413861 0.74 HPSE (0.55) HPGDMAOBADORA2AADORA2BADORA1
SCHEMBL12384601 0.74 RAD52 (0.47) RIPK1TSHRHTTALOX5RAD52
SCHEMBL1202246 0.73 DRD2 (0.49) RIPK1TSHRHTTALOX5L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050234070-A1 Agents for preserving technical materials against insects TSUBOI SHINICHI 2005-10-20 US claimed
WO-2015065916-A1 ANTI MICROBIAL PEPTIDES INCORPORATING CYCLIC ALPHA TETRA-SUBSTITUTED UNNATURAL AMINO ACIDS EAST CAROLINA UNIVERSITY (US) 2015-05-07 WO disclosed
EP-2698061-A1 Synergistic pesticide compositions Bayer Cropscience LP (US) 2014-02-19 EP disclosed
US-20130217574-A1 SYNERGISTIC PESTICIDE COMPOSITIONS BAYER CROPSCIENCE LP (US) 2013-08-22 US disclosed
WO-2009123907-A1 SYNERGISTIC PESTICIDE COMPOSITIONS BAYER CROPSCIENCE LP (US) 2009-10-08 WO disclosed
US-20050234070-A1 Agents for preserving technical materials against insects TSUBOI SHINICHI 2005-10-20 US disclosed
US-20010051643-A1 Agents for preserving technical materials against insects TSUBOI SHINICHI (JP) 2001-12-13 US disclosed
US-6323224-B1 1-(6-CHLORO-3-PYRIDYLMETHYL)-2-NITROIMINO-IMIDAZOLIDINE IS APPLIED BY SOAKING SAID WOOD PRODUCT IN OR WITH SAID COMPOUND, IMPREGNATING SAID WOOD PRODUCT WITH SAID COMPOUND, BRUSHING, SPRAYING AND DIPPING NIHON BAYER AGROCHEM K.K. (JP) 2001-11-27 US disclosed
WO-1997023491-A1 NEW HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1997-07-03 WO disclosed
EP-0511541-B1 Agents for preserving wood or composite-wood materials against insects BAYER AGROCHEM KK (JP) 1996-09-04 EP disclosed
EP-0511541-A1 Agents for preserving wood or composite-wood materials against insects NIHON BAYER AGROCHEM K.K. (JP) 1992-11-04 EP disclosed
US-4086297-A MELT BLENDING WITH MICROBIOCIDE TO EFFECT IMMOBILIZATION VENTRON CORPORATION (US) 1978-04-25 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-20050234070-A1 Agents for preserving technical materials against insects TREH, GPX4, GPX1 RIPK1 3712/4885TSHR 4284/4885HTT 2259/4885
US-20010051643-A1 Agents for preserving technical materials against insects GPX1, FEN1, POT1 RIPK1 3350/4885TSHR 4448/4885HTT 3364/4885
US-20130217574-A1 SYNERGISTIC PESTICIDE COMPOSITIONS DDT, ACHE, CHRM3 RIPK1 3039/4885TSHR 1742/4885HTT 1551/4885

“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.