SCHEMBL1018866

SCHEMBL1018866

C#CCN(C(=O)O)c1cccc(I)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.39
PYCR1 P32322 3/20 0.35
ALDH1A1 P00352 3/20 0.34
HTT P42858 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
JAK2 O60674 1/20 0.34
PAX8 Q06710 1/20 0.34
SCN2A Q99250 1/20 0.34
MAOA P21397 4/20 0.33
MAOB P27338 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL10784051 0.71 POLQ (0.46) POLQPYCR1ALDH1A1HTTRAB9A
SCHEMBL9423795 0.71 PYCR1 (0.39) POLQPYCR1ALDH1A1MAOAMAOB
SCHEMBL15310651 0.70 ALDH1A1 (0.46) ALDH1A1HTTRAB9ANPC1JAK2
SCHEMBL2094148 0.69 SCN2A (0.51) ALDH1A1SCN2ATSHR
SCHEMBL2095831 0.69 NPSR1 (0.48) ALDH1A1HTTRAB9ANPC1SCN2A
SCHEMBL10778940 0.68 POLQ (0.46) POLQPYCR1ALDH1A1HTTRAB9A
SCHEMBL3415214 0.68 ALDH1A1 (0.49) POLQPYCR1ALDH1A1HTTMAOA
SCHEMBL19332034 0.68 ALDH1A1 (0.42) POLQPYCR1ALDH1A1TSHR
SCHEMBL27420679 0.68 POLQ (0.43) POLQPYCR1ALDH1A1HTTRAB9A
SCHEMBL11802790 0.67 POLQ (0.51) POLQPYCR1ALDH1A1HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63054304-A None JP disclosed
US-9028856-B2 Synergistic pesticide compositions BAYER CROPSCIENCE LP (US) 2015-05-12 US disclosed
US-20140099349-A1 WOOD PROTECTION AGENT HAVING IMPROVED PENETRATION AND LONG-TERM STABILITY KURT OBEMEIER GMBH & CO. KG (DE) 2014-04-10 US 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
US-20130183390-A1 SYNERGISTIC PESTICIDE COMPOSITIONS BAYER CROPSCIENCE LP (US) 2013-07-18 US disclosed
US-8404260-B2 Synergistic pesticide compositions BAYER CROPSCIENCE LP (US) 2013-03-26 US disclosed
EP-2271210-A1 SYNERGISTIC PESTICIDE COMPOSITIONS Bayer Cropscience LP (US) 2011-01-12 EP disclosed
US-20100247684-A1 SYNERGISTIC PESTICIDE COMPOSITIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2010-09-30 US disclosed
WO-2009123907-A1 SYNERGISTIC PESTICIDE COMPOSITIONS BAYER CROPSCIENCE LP (US) 2009-10-08 WO 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
US-6242440-B1 FOR USE AS FUNGICIDAL PRESERVATIVES IN THE PROTECTION OF MATERIALS, SUCH AS PROTECTION OF WOOD, WOOD PRODUCTS, BIODEGRADABLE MATERIALS AND COATINGS. JANSSEN PHARMACEUTICA N.V. (BE) 2001-06-05 US disclosed
EP-1022949-A1 SYNERGISTIC COMPOSITIONS COMPRISING AN OXATHIAZINE AND A BENZOTHIOPHENE-2-CARBOXAMIDE-S,S-DIOXIDE JANSSEN PHARMACEUTICA N.V. (BE) 2000-08-02 EP disclosed
WO-1999018795-A1 SYNERGISTIC COMPOSITIONS COMPRISING AN OXATHIAZINE AND A BENZOTHIOPHENE-2-CARBOXAMIDE-S,S-DIOXIDE JANSSEN PHARMACEUTICA N.V. (BE) 1999-04-22 WO disclosed
EP-0632034-B1 Agents for preserving technical materials against insects BAYER AGROCHEM KK (JP) 1998-08-19 EP disclosed
EP-0511541-B1 Agents for preserving wood or composite-wood materials against insects BAYER AGROCHEM KK (JP) 1996-09-04 EP disclosed
EP-0632034-A1 Agents for preserving technical materials against insects NIHON BAYER AGROCHEM K.K. (JP) 1995-01-04 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
JP-S6354304-A INDUSTRIAL GERMICIDE SUMITOMO CHEM CO LTD 1988-03-08 JP 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-20100247684-A1 SYNERGISTIC PESTICIDE COMPOSITIONS DDT, ACHE, CHRM3 POLQ 4252/4885PYCR1 1402/4885ALDH1A1 3736/4885
US-20010051643-A1 Agents for preserving technical materials against insects GPX1, FEN1, POT1 POLQ 1364/4885PYCR1 1666/4885ALDH1A1 850/4885
US-20130217574-A1 SYNERGISTIC PESTICIDE COMPOSITIONS DDT, ACHE, CHRM3 POLQ 4252/4885PYCR1 1402/4885ALDH1A1 3736/4885
US-20130183390-A1 SYNERGISTIC PESTICIDE COMPOSITIONS DDT, ACHE, CHRM3 POLQ 4252/4885PYCR1 1402/4885ALDH1A1 3736/4885

“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.